Automatic Evaluation Report from CSEARCH
created on 2023-05-11 at 07:26:12
based on 340,554 reference spectra




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Request from: blabla@test.at

Compound: Example_2

Project: Workshop



Database Number of Entries Owner of Database


Please cite the CSEARCH-Robot-Referee as:

N. Haider, W. Robien; http://nmrpredict.orc.univie.ac.at/c13robot/robot.php


 CSEARCH 
74,997 (A) CSEARCH-Data / Wolfgang Robien
 CSEARCH 
56,549 (B) CSEARCH-Data / Wolfgang Robien
 CSEARCH 
28,196 (C) CSEARCH-Data / Wolfgang Robien
 CSEARCH 
33,587 (D) CSEARCH-Data / Wolfgang Robien
 CSEARCH 
39,132 (E) CSEARCH-Data / Wolfgang Robien + NMR-Database University of Mainz
 CSEARCH 
26,196 (F) CSEARCH-Data / Wolfgang Robien
 CSEARCH 
50,594 (I) Upcoming CSEARCH-Data / Wolfgang Robien
 CSEARCH 
31,307 (L) NMRShiftDB-Data / Version February 2012

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CSEARCH-Version: 9.4.0
Robot-Referee: 2017:06:10





Request from: blabla@test.at

Compound: Example_2

Project: Workshop

Recommendation given here

Details of Prediction given here



Summary of Supplied Data

Understanding the Color Coding Scheme







The NMR-Spectrum for this compound is available in commercial & non-commercial databases
All Spectra from NMRPREDICT, SPECINFO, NMRShiftDB, MESTRENOVA and
CSEARCH (including spectra not yet released) were screened




Structure Proposal

Structural diagram

Molecular formula is: C9H10O2     Molecular weight is: 150.18 amu

INCHIKEY is: VXUCMXVCGIAHHR-UHFFFAOYAO



Numbering Scheme derived from the drawing sequence used during the calculation

Structural diagram


The marked carbons have been fully assigned

Structural diagram


Carbon number Chemical Shift Value Multiplicity from Structure Multiplicity from Experiment

1 115.70 D -
2 133.10 D -
3 115.30 S -
4 143.50 S -
5 120.90 D -
6 141.70 S -
7 39.40 T -
8 137.10 D -
9 115.50 T -




The marked carbons have been fully assigned

Structural diagram


Graphical summary of the Chemical Shift Data

Spectrum






Searching external databases





The NMR-Spectrum for this compound is available in commercial & non-commercial databases
All Spectra from NMRPREDICT, SPECINFO, NMRShiftDB, MESTRENOVA and
CSEARCH (including spectra not yet released) were screened


Recall this Compound from PUBCHEM ( Stereo-Match from searching 150,149,731 compounds )


4,400,967 Compounds searched in Emolecules - nothing found


Search the Internet for this compound ( Skeleton only )
Search the Internet for this compound ( Skeleton + Stereochemistry )


Search CHEMSPIDER for this compound ( Skeleton only )
Search CHEMSPIDER for this compound ( Skeleton + Stereochemistry )


Search the Internet for the molecular formula C9H10O2


Search CHEMSPIDER for the molecular formula C9H10O2



(Description)






Basic Evaluation: Checking Multiplicities




Checking lines & multiplicity Carbons/Lines Singlet Dublet Triplet Quartet Odd Even None

From structure 9 3 4 2 0 5 4 0
From spectrum 9 3 4 2 0 5 4 0


Overall impression on compatibility of multiplicity from structure and experiment

Quality bar






Evaluation based on Spectrum Prediction







Numbering Scheme

Structural diagram



Carbon Number Neural Network
Prediction
HOSE-Code
Prediction
Preferred Value
from both Predictions
Experimental
values
Difference
(Exp-Pred/ppm)
Assignment Prediction Quality
1 109.0 107.7 108.0 115.7 7.7 Assigned by author
Check assignment - maybe 115.30 ?
Only very few similar structures
2 129.7 124.7 127.2 133.1 5.9 Assigned by author Large Difference between NET & HOSE
Only very few similar structures
3 120.0 132.2 120.0 115.3 4.7 Assigned by author
Check assignment - maybe 120.90 ?
Large Difference between NET & HOSE
Only very few similar structures
4 154.3 154.8 154.5 143.5 11.0 Assigned by author Only very few similar structures
5 102.8 103.2 103.0 120.9 17.9 Assigned by author
Check assignment - maybe 115.50 ?
6 156.0 156.8 156.6 141.7 14.9 Assigned by author
7 33.8 38.7 38.7 39.4 0.7 Assigned by author Only very few similar structures
8 137.1 136.9 136.9 137.1 0.2 Assigned by author
9 116.2 115.8 115.8 115.5 0.3 Assigned by author
Check assignment - maybe 115.70 ?
  Absolute  
Signed
   7.13ppm   (9)   
   0.37ppm   (9)   
   8.73ppm   (9)   
   -0.97ppm   (9)   
   7.03ppm   (9)   
   0.15ppm   (9)   


   5.94ppm   (9)   
   0.15ppm   (9)   
Average deviation to experimental values
( Number of shift pairs used )

Structure representation by reference data over 4.0 shells on average



Visualization of the differences between predicted and experimental values

Spectrum


Quality of the Spectrum Prediction

Quality bar



Experimental Chemical Shift Values as given

Structural diagram


Experimental Chemical Shift Values using Symmetry

Structural diagram


Preferred Chemical Shift Values from both predictions

Structural diagram


Comparison of Prediction Techniques

Spectrum


Contribution of the methods

HOSE NET NET&HOSE NONE
Structural diagram


Similarity between predicted and experimental data based on positions

Quality bar



Matching map of predicted versus experimental data

Structural diagram


Differences between predicted and experimental data in ppm

Structural diagram


Comparison of Experimental versus Predicted Chemical Shift Values

Spectrum


Overall deviation between predicted and experimental data is 7.0ppm

Quality bar



Spectrum
Spectrum
Spectrum


  Your assignment  
 Difference to predicted values 
Highlighting
Highlighting








Nothing found when searching CSEARCH for identical structures

(Description)











No alternative structure found when searching CSEARCH for identical spectra

(Description)












Overall Impression


Major revision
Quality bar



Major revision necessary; high probability for errors




Compound: Example_2

Project: Workshop


Major revision


The CSEARCH Robot Referee recommends: Major revision necessary; high probability for errors

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Experimental values
Highlighting
Predicted values
Highlighting
Matching map
Highlighting
Deviation per position ( Average is 7.0ppm )
Highlighting
Contribution of methods
HOSE NET NET&HOSE NONE
Highlighting
Overall Similarity Index is 6.6
0.0 is a "perfect match", up to approximately 3.0 it is "reasonable",
above 5.0 it is more or less "unbelievable"

  Your assignment  
 Difference to predicted values 
Highlighting
Highlighting


The NMR-Spectrum for this compound is available in commercial & non-commercial databases
All Spectra from NMRPREDICT, SPECINFO, NMRShiftDB, MESTRENOVA and
CSEARCH (including spectra not yet released) were screened


Recall this Compound from PUBCHEM ( Stereo-Match from searching 150,149,731 compounds )


4,400,967 Compounds searched in Emolecules - nothing found


Search the Internet for this compound ( Skeleton only )
Search the Internet for this compound ( Skeleton + Stereochemistry )


Search CHEMSPIDER for this compound ( Skeleton only )
Search CHEMSPIDER for this compound ( Skeleton + Stereochemistry )


Search the Internet for the molecular formula C9H10O2


Search CHEMSPIDER for the molecular formula C9H10O2



(Description)





Start systematic searching for alternate structures






Numbering Scheme derived from the drawing sequence used during the calculation

Structural diagram

CarbonExperimental
shift value
NN-ValueDifference to
experimental value
HOSE-ValueDifference to
experimental value
Best-ValueDifference to
experimental value
Total Deviation
1 115.70 109.04 6.66 107.70 8.00 107.97 7.73 22.39
2 133.10 129.72 3.38 124.71 8.39 127.21 5.89 17.66
3 115.30 120.00 4.70 132.22 16.92 120.00 4.70 26.31
4 143.50 154.27 10.77 154.82 11.32 154.54 11.04 33.13
5 120.90 102.84 18.06 103.23 17.67 103.03 17.87 53.60
6 141.70 155.97 14.27 156.79 15.09 156.63 14.93 44.29
7 39.40 33.79 5.61 38.74 0.66 38.74 0.66 6.93
8 137.10 137.09 0.01 136.93 0.17 136.93 0.17 0.35
9 115.50 116.20 0.70 115.80 0.30 115.80 0.30 1.30
7.13 8.73 7.03 22.88



Carbons involved in structural modifications - large deviation found

Structural diagram


Additional Carbons to be modified

Structural diagram

446 Alternative Structure Proposals have been generated


  Structure with smaller deviation than proposal  
  Your structure proposal  
  Structure with larger deviation than proposal  
  Structure with extremely large deviation  
  Structure with different multiplicity than proposal  


Structure Proposal # 1

FHEHIXJLCWUPCZ

Deviation = 1.39ppm

C9H10O2


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Compound from
PUBCHEM

Data in
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Proposal
Proposal
Proposal

Structure Proposal # 2

KUTNYZKHIOOPSU

Deviation = 2.11ppm

C9H8Br2


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Proposal
Proposal
Proposal

Structure Proposal # 3

MGFOEPIZQPWAKJ

Deviation = 2.22ppm

C9H10BrN


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Proposal
Proposal
Proposal

Structure Proposal # 4

VDTGATXFFNRXIS

Deviation = 2.33ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 5

GYOCQZFCQZYFHX

Deviation = 2.43ppm

C9H8BrCl


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 6

DXQCJECCBSQDDG

Deviation = 2.46ppm

C9H9BrS


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Proposal
Proposal
Proposal

Structure Proposal # 7

RETYPRGBHSAGTG

Deviation = 2.57ppm

C9H9BrS


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Proposal
Proposal
Proposal

Structure Proposal # 8

OGKSXMUUPZVZIF

Deviation = 2.59ppm

C9H10IN


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 9

PQJIDDUWAKJOSM

Deviation = 2.69ppm

C9H10S2


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Proposal
Proposal
Proposal

Structure Proposal # 10

KYCDZAFZDLPOQK

Deviation = 2.74ppm

C9H8ClI


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Proposal
Proposal
Proposal

Structure Proposal # 11

UEOMXJBTIKLOOJ

Deviation = 2.87ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 12

JFCOAIDFQNKPOL

Deviation = 2.94ppm

C9H9IS


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Proposal
Proposal
Proposal

Structure Proposal # 13

MSTKAZXKBVSBNN

Deviation = 3.12ppm

C9H10ClN


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 14

KMJOAUYPPWIQEI

Deviation = 3.19ppm

C9H9ClS


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Proposal
Proposal
Proposal

Structure Proposal # 15

ODRYQWPCEHKMBG

Deviation = 3.27ppm

C9H9ClS


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Proposal
Proposal
Proposal

Structure Proposal # 16

GCBIIIVWETUGOK

Deviation = 3.32ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 17

RGFLVHFOWPUKSM

Deviation = 3.33ppm

C9H10ClN


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 18

HLWAZGVYRLFHOP

Deviation = 3.39ppm

C9H11NS


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Proposal
Proposal
Proposal

Structure Proposal # 19

HQFUIGQNQQVTJD

Deviation = 3.45ppm

C9H10BrN


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Proposal
Proposal
Proposal

Structure Proposal # 20

GAQFUUSEYQFJNI

Deviation = 3.54ppm

C9H8BrCl


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 21

PARWTEYYJSDGQM

Deviation = 3.60ppm

C9H10O2


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 22

IMSWNRUBBABDQP

Deviation = 3.63ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 23

LTJMQSKGOMQUNA

Deviation = 3.63ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 24

ZBXJUMVAFPZIHN

Deviation = 3.74ppm

C9H9IO


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Proposal
Proposal
Proposal

Structure Proposal # 25

DSHHEFCQKICRDS

Deviation = 3.75ppm

C9H8Cl2


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 26

NYLNCQJZEXZLTQ

Deviation = 3.79ppm

C9H10O2S


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Proposal
Proposal
Proposal

Structure Proposal # 27

KQKQNNDUOUXSRC

Deviation = 3.83ppm

C9H8BrI


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Proposal
Proposal
Proposal

Structure Proposal # 28

GUKPLRXLMAODAV

Deviation = 3.88ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 29

CDQOEGBSPQXNPM

Deviation = 3.99ppm

C9H11NS


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Proposal
Proposal
Proposal

Structure Proposal # 30

OPWYSMIJSXUIDX

Deviation = 4.01ppm

C9H10O3


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Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 31

JZKXHEJJBQRVRS

Deviation = 4.04ppm

C9H10OS


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Proposal
Proposal
Proposal

Structure Proposal # 32

QAMNZUDPUCLVDK

Deviation = 4.11ppm

C9H9BrO


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 33

FFCLIYFJAHOZBV

Deviation = 4.15ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 34

PWDCCKDZHAIHDH

Deviation = 4.20ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 35

RGIBXDHONMXTLI

Deviation = 4.23ppm

C9H10O


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Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM

Data in
CSEARCH

Proposal
Proposal
Proposal

Structure Proposal # 36

IIONIRYYANETEZ

Deviation = 4.32ppm

C9H9FS


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Proposal
Proposal
Proposal

Structure Proposal # 37

GUAZTQZHLVAYRM

Deviation = 4.36ppm

C9H10O2


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 38

LZBRUBYCFZKUDC

Deviation = 4.39ppm

C9H11NO2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 39

WXWMBTNKERRSDF

Deviation = 4.43ppm

C9H9FO2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 40

MPBGORGEIQRCAC

Deviation = 4.54ppm

C9H9ClO


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 41

NMLAPVYTPNDKSZ

Deviation = 4.67ppm

C9H10O2S


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Proposal
Proposal
Proposal

Structure Proposal # 42

JETVYSOYCCIFAG

Deviation = 4.67ppm

C9H11NO2


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Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 43

OCWFAEPDCLHFTA

Deviation = 4.68ppm

C9H8FI


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 44

CSKPOLGSRCAKRI

Deviation = 4.70ppm

C9H8BrI


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Proposal
Proposal
Proposal

Structure Proposal # 45

KJVODYYDLUMGKS

Deviation = 4.74ppm

C9H10O3


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Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 46

APHUKQDPIGVOHB

Deviation = 4.84ppm

C9H8BrF


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Proposal
Proposal
Proposal

Structure Proposal # 47

CCYYGWZRVJONDR

Deviation = 4.87ppm

C9H11NO2


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 48

OSGMZAGFZZYCTJ

Deviation = 4.89ppm

C9H9FO2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 49

CWEMEMQGPCUERS

Deviation = 4.91ppm

C9H9ClO


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 50

FZGQZCXQOZFXMU

Deviation = 4.98ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 51

MOJPHVFSDUAZIE

Deviation = 5.00ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 52

QIRNGVVZBINFMX

Deviation = 5.02ppm

C9H10O


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Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM

Data in
CSEARCH

Proposal
Proposal
Proposal

Structure Proposal # 53

ZZYBVZPKHFYGMH

Deviation = 5.04ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 54

QVIAXJRPAOJOTI

Deviation = 5.07ppm

C9H10O2S


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 55

YHOIBXTWPLTUSS

Deviation = 5.09ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 56

SJLJEBNIDRXIRV

Deviation = 5.09ppm

C9H9FS


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Proposal
Proposal
Proposal

Structure Proposal # 57

XBFZIZYZCMHVIN

Deviation = 5.11ppm

C9H9BrO


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 58

PPUFMBGOWOQXPM

Deviation = 5.15ppm

C9H8ClF


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Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 59

JEITUHSGFWCELF

Deviation = 5.26ppm

C9H10FN


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Proposal
Proposal
Proposal

Structure Proposal # 60

ROGGDPZPSLTGGI

Deviation = 5.26ppm

C9H12N2


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 61

OWGCTWSQCLTWHF

Deviation = 5.29ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 62

UZJWZDVCADQARQ

Deviation = 5.33ppm

C9H8ClF


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 63

JAXNPZRXQGFHMK

Deviation = 5.35ppm

C9H8BrF


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 64

FYSCWTCCSSHWDU

Deviation = 5.37ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 65

OZJIVFXZFMPWIA

Deviation = 5.38ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 66

OQMJHIFLMQBJDP

Deviation = 5.40ppm

C9H10OS


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Proposal
Proposal
Proposal

Structure Proposal # 67

TXZXVLOHYLAVSH

Deviation = 5.40ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 68

OYFMCMKHILAVHB

Deviation = 5.43ppm

C9H11NO


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 69

MFMXMXBWIDBVAF

Deviation = 5.56ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 70

TZZZFGNAVOGWKM

Deviation = 5.69ppm

C9H11NO


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 71

NBKAMIQLDSWOPW

Deviation = 5.72ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 72

ANHJRLYMAOROEZ

Deviation = 5.74ppm

C9H10O2


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Compound from
PUBCHEM

Data in
CSEARCH

Proposal
Proposal
Proposal

Structure Proposal # 73

AZFORSDQDDFQSL

Deviation = 5.74ppm

C9H10O2S


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Proposal
Proposal
Proposal

Structure Proposal # 74

INPMFVYKDVMALH

Deviation = 5.78ppm

C9H9ClO2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 75

QLBKEOOCLDGPKQ

Deviation = 5.80ppm

C9H10O2S


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 76

YWVPSICALHTURO

Deviation = 5.90ppm

C9H11NO2


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Proposal
Proposal
Proposal

Structure Proposal # 77

XMLSDKIAHYPSFH

Deviation = 5.93ppm

C9H10FN


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Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 78

WBNKWYFJERPHRJ

Deviation = 5.95ppm

C9H9IS


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Proposal
Proposal
Proposal

Structure Proposal # 79

LBLZZLCANZXFQG

Deviation = 6.00ppm

C9H8ClI


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Proposal
Proposal
Proposal

Structure Proposal # 80

VXUCMXVCGIAHHR

Deviation = 6.02ppm

C9H10O2


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Recall this
Compound from
PUBCHEM

Data in
CSEARCH

Proposal
Proposal
Proposal

Structure Proposal # 81

NRRQQJNBMBNQRA

Deviation = 6.03ppm

C9H9ClO2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 82

UHDKKBPUPHJTCP

Deviation = 6.06ppm

C9H10O2S


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 83

DXQWSOYJNMVFPF

Deviation = 6.07ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 84

OMGSKERCWHZUDE

Deviation = 6.09ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 85

UBEVGZLZDOKHHG

Deviation = 6.12ppm

C9H9ClO2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 86

NLVJWRSTNBYOPJ

Deviation = 6.12ppm

C9H10O3


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Proposal
Proposal
Proposal

Structure Proposal # 87

NGFWPDVCPOGKLW

Deviation = 6.14ppm

C9H11NO2


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Proposal
Proposal
Proposal

Structure Proposal # 88

YZIYURXRSCEDRL

Deviation = 6.23ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 89

TXBYTHFKQSJQTG

Deviation = 6.23ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 90

PEDAVIQQJCPWKR

Deviation = 6.25ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 91

BLFJDOPUCXCZCU

Deviation = 6.26ppm

C9H9FO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 92

FAHWAELAFVMPCF

Deviation = 6.26ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 93

LQDWPLHHTIYUSB

Deviation = 6.29ppm

C9H11NO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 94

ALBJDWQXLXILJA

Deviation = 6.30ppm

C9H9BrO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 95

DTUHIROUNLPZBJ

Deviation = 6.30ppm

C9H9FO


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 96

MZGJJSZEIQPMLH

Deviation = 6.33ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 97

AYQQXXDGFKJHQU

Deviation = 6.35ppm

C9H9BrO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 98

ANXJKOQRMFAULQ

Deviation = 6.38ppm

C9H9FO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 99

DNQJCCJEKXAYCA

Deviation = 6.39ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 100

YYLPYEYHJSAUEX

Deviation = 6.45ppm

C9H10O2S


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 101

MEYZBZDCMCPXKJ

Deviation = 6.52ppm

C9H9BrO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 102

VKHWVIKSDIPSNZ

Deviation = 6.53ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 103

IVJFLUGJWCWPJZ

Deviation = 6.55ppm

C9H9BrO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 104

XCCRZGGDYSWDHR

Deviation = 6.58ppm

C9H10O2S


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 105

ZXGYLIPXSQRNHW

Deviation = 6.62ppm

C9H9ClO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 106

ACVWPMQTLHURPM

Deviation = 6.64ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 107

UOJLVZAZFAUJGI

Deviation = 6.64ppm

C9H8F2


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 108

WPEJOQNQGTTZLC

Deviation = 6.65ppm

C9H10O2S


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 109

DAZDFLCAUUSEGM

Deviation = 6.65ppm

C9H9BrO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 110

LPDXANRGUGXXTF

Deviation = 6.66ppm

C9H9BrO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 111

LPYBACCFHMELSO

Deviation = 6.69ppm

C9H10IN


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 112

NFPFLKZBTYQFFO

Deviation = 6.74ppm

C9H11NO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 113

WCWCVCFZKOHDTJ

Deviation = 6.75ppm

C9H9ClO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 114

SGWNPHJYVLYFGL

Deviation = 6.81ppm

C9H10O2


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 115

WUNQTXVVERFOSK

Deviation = 6.83ppm

C9H9FO


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 116

OODXVCHSJAVKJI

Deviation = 6.91ppm

C9H8I2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 117

ZYGVPCHDJMZJSV

Deviation = 6.93ppm

C9H9IO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 118

STHVPIVRTZCLAU

Deviation = 6.94ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 119

XKILQEYSBDCDED

Deviation = 6.97ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 120

ITLLQTKXHKAPOT

Deviation = 6.99ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 121

FENIAMPINJKCKP

Deviation = 7.01ppm

C9H9IO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 122

XOCXJTYAFRHDLG

Deviation = 7.05ppm

C9H10O3


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 123

RMDRONJWEHQFDQ

Deviation = 7.07ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 124

FRZDTLFFIINADM

Deviation = 7.08ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 125

BILOXLHFQRGYNW

Deviation = 7.11ppm

C9H8FI


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 126

VWZQNDYQQMXMKH

Deviation = 7.14ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 127

VHKOHNXSUYENRC

Deviation = 7.16ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 128

NCRZIVQPJHAJNC

Deviation = 7.21ppm

C9H9IO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 129

SXNFUDGXJIKBRY

Deviation = 7.24ppm

C9H9IO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 130

OKFBQNGNYRMFRQ

Deviation = 7.36ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 131

MLYNXCJEZKJWKT

Deviation = 7.49ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 132

VGEDIRBVIPBXKX

Deviation = 7.52ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 133

FEUZYPCXZAARAP

Deviation = 7.56ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 134

VJJWFKJLJHEERH

Deviation = 7.56ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 135

BHBOAAPVWOPLGY

Deviation = 7.57ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 136

JNICHPWDSRMTFV

Deviation = 7.59ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 137

NLGWLKVITRLTRE

Deviation = 7.62ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 138

JFDJRRWOWTYFDS

Deviation = 7.65ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 139

PEWNEDFQXAWCPB

Deviation = 7.77ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 140

XABJECOVZPUXDO

Deviation = 7.79ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 141

OBJYLKPMAHKKPM

Deviation = 7.80ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 142

JBXJBLDOSFPBNY

Deviation = 7.81ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 143

DIKKVBSGVPUIHF

Deviation = 7.83ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 144

VTIPWPAXQSURBL

Deviation = 7.86ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 145

VGWOQUJLFUUQPQ

Deviation = 7.86ppm

C9H9IO


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 146

OJCBOPHDKWSYTD

Deviation = 7.87ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 147

DZWOGTBMXUXOBC

Deviation = 7.89ppm

C9H10O2


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 148

BZXYJQHAHLNBIU

Deviation = 7.91ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 149

RGTXKZKVNTXSGT

Deviation = 7.91ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 150

IFJVRLPDHJEBJG

Deviation = 7.93ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 151

IRQOTYKQNUSDHV

Deviation = 7.94ppm

C9H11NO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 152

QBRLUQUPWUYREL

Deviation = 7.96ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 153

NREGCLIBILUHEG

Deviation = 7.96ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 154

MTHQZQLWTZGWOP

Deviation = 7.96ppm

C9H10O3


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 155

PDVMLFIOXXEZSF

Deviation = 7.96ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 156

XBLCBNQDXKQHSM

Deviation = 8.01ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 157

YLTVGHNRWAPURS

Deviation = 8.02ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 158

ASWYQYJPYITPGE

Deviation = 8.09ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 159

ILEKORRIZFYASY

Deviation = 8.13ppm

C9H11NO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 160

VGXFUYZAAGAZPJ

Deviation = 8.14ppm

C9H10O2S


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 161

ZTSXETGWMQGZLS

Deviation = 8.15ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 162

SZVZVTOLSZVZKQ

Deviation = 8.21ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 163

FTPWANQLOTYERJ

Deviation = 8.26ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 164

XCKAQGLZPUQVHL

Deviation = 8.27ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 165

DJMAAFULEXWPBC

Deviation = 8.29ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 166

IWAQQGFPTJRCRE

Deviation = 8.33ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 167

RVLMQFZPQIEPFN

Deviation = 8.33ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 168

PPUHYLWNEAOWKQ

Deviation = 8.41ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 169

HXGLXEMROSFMTM

Deviation = 8.41ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 170

ORTIAHULLCNLAV

Deviation = 8.41ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 171

HSCSACPTIIMHRP

Deviation = 8.44ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 172

YADDFZQHAGNLOD

Deviation = 8.51ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 173

TWSSMVZVUDHLAX

Deviation = 8.58ppm

C9H9FO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 174

ORTYOOIAVQUMPJ

Deviation = 8.60ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 175

NPYJNQAMXTZKFB

Deviation = 8.70ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 176

JDRYEYUHEVJHGF

Deviation = 8.74ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 177

PDZGCGOYMPWTNJ

Deviation = 8.74ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 178

KXYGWGPZCHRSBI

Deviation = 8.74ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 179

LHHMHHJPKCZSLO

Deviation = 8.78ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 180

KQMRFFBAVDNWOX

Deviation = 8.83ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 181

VJQXRSOZWTUMRG

Deviation = 8.84ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 182

JWIJZFJTSBCUMH

Deviation = 8.84ppm

C9H10O2S


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 183

JWXHOFJIVRNTKC

Deviation = 8.86ppm

C9H10O3


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 184

VZAPEYIJBOGGON

Deviation = 8.87ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 185

GIEQOLOIEYUHPQ

Deviation = 8.87ppm

C9H11NO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 186

YUYMZRCHAHUUBK

Deviation = 8.89ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 187

ZGJWOIJYRIEPCO

Deviation = 8.89ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 188

XZCPIJLUIRLHKQ

Deviation = 8.91ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 189

UOGIGXCIOGOGIH

Deviation = 8.91ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 190

VEJHNPAUJGBRNW

Deviation = 8.96ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 191

AOQIXRRYZJRMEX

Deviation = 8.99ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 192

FHPQHIRZUITINS

Deviation = 9.06ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 193

XZHBKBUETCGQSV

Deviation = 9.12ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 194

KXBFHOUCEBRMKN

Deviation = 9.20ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 195

ZEXHQVWRAHTDLD

Deviation = 9.20ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 196

KGNYUCFJGRKZDT

Deviation = 9.26ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 197

GJZLMBLJNGQUBY

Deviation = 9.26ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 198

RLXMAZFUIRXHMC

Deviation = 9.26ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 199

VRHJFRLHFFOFTE

Deviation = 9.27ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 200

IFUUXTJVZIVOOI

Deviation = 9.28ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 201

NCFZJEICBOYVAW

Deviation = 9.30ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 202

HGKMTBPYFCMVKD

Deviation = 9.34ppm

C9H9IO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 203

GKMQZJKFTKVMNX

Deviation = 9.38ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 204

CWVMJXXYYVRDPE

Deviation = 9.43ppm

C9H10O3


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 205

TXDOUTSHLFEGLS

Deviation = 9.43ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 206

FKTMGFLGVMNSNZ

Deviation = 9.44ppm

C9H9IO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 207

IHZCIVJOOQROSA

Deviation = 9.49ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 208

XUQQKKDUWGTYNC

Deviation = 9.58ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 209

JGJHNJDOPBUCLK

Deviation = 9.60ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 210

ZGCZRMMBDHTMIF

Deviation = 9.61ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 211

CVJSBUZEXKDVML

Deviation = 9.63ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 212

WWXYAKQKKHDUFH

Deviation = 9.67ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 213

ITLWNKABZXFLAR

Deviation = 9.70ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 214

PYXQLAQYFZLOHA

Deviation = 9.72ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 215

CVGOEPZDMBKDIA

Deviation = 9.74ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 216

WAIVXWNYENFTMW

Deviation = 9.75ppm

C9H11NO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 217

ABDZIZUZPIKKPB

Deviation = 9.78ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 218

VMYHISATGBRJPD

Deviation = 9.78ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 219

JBPCZNHXABRMMM

Deviation = 9.79ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 220

FWIYTLXTUNIXQV

Deviation = 9.79ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 221

BBPQBOUFTJXTSJ

Deviation = 9.82ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 222

SNEMSGGPOKEBRK

Deviation = 10.00ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 223

WGIPPWVUSYWCMX

Deviation = 10.00ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 224

MIWVPWPJCGXMTQ

Deviation = 10.02ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 225

OVWQHQYQPGUCBZ

Deviation = 10.02ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 226

TXJZZYKBAAXDOE

Deviation = 10.04ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 227

QMJWZGFSSKKTOY

Deviation = 10.05ppm

C9H9ClO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 228

SFIQPJXPOWYMCK

Deviation = 10.18ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 229

UDSHRTDKNUTVBH

Deviation = 10.20ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 230

IQIFZKHZWCBENE

Deviation = 10.22ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 231

GGESZROBOPKEJK

Deviation = 10.23ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 232

FKZDIVSXLZZUSG

Deviation = 10.24ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 233

KJXRWCAVHIIDSD

Deviation = 10.26ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 234

SSUIHBQFULYTHB

Deviation = 10.27ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 235

VHEJGJSSCALCPM

Deviation = 10.29ppm

C9H10O3


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 236

PUDXZHDFTZZJNW

Deviation = 10.29ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 237

ZDBCIVCWNKXGKO

Deviation = 10.29ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 238

CZAAZVSYIUODPY

Deviation = 10.35ppm

C9H11NO2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 239

CBWKLJGFDKENEC

Deviation = 10.37ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 240

SBHUXKSFJCEMDF

Deviation = 10.38ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 241

NKSDJALZDLRGCA

Deviation = 10.41ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 242

ARNOIPVYISJYST

Deviation = 10.43ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 243

HPSLLTADLFPVNR

Deviation = 10.51ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 244

CEODQSYRBPOCCZ

Deviation = 10.61ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 245

GGDLSKAJWPRWHF

Deviation = 10.62ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 246

TURHEROSAISUBU

Deviation = 10.64ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 247

JOQOZAWESLGHAZ

Deviation = 10.69ppm

C9H10O2S


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 248

ZBNNKCXBJCOBDQ

Deviation = 10.72ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 249

HGMDQCOAKQJEHR

Deviation = 10.79ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 250

RSEXXDVFNCVEQJ

Deviation = 10.81ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 251

WFKGXURNIFLELJ

Deviation = 10.81ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 252

MIZUKUBECRHRSE

Deviation = 10.83ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 253

NZLQUWJOWBFHQJ

Deviation = 10.84ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 254

FCKDBDHFURNJFM

Deviation = 10.86ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 255

CWEGLLOPARRYKH

Deviation = 10.86ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 256

KYVATGWJWPJPDW

Deviation = 10.87ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 257

JEWAPZNWESKXTD

Deviation = 10.88ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 258

ZZHOIYWLWWGAGT

Deviation = 10.92ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 259

KZUKQNKCXRNFAP

Deviation = 10.97ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 260

IXXRQCYYPSPVSJ

Deviation = 10.97ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 261

NWBYTAXXRGZRFM

Deviation = 11.06ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 262

ADJAEENERAVPCG

Deviation = 11.08ppm

C9H10O3


Search WEB for skeleton

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 263

IFCNHSNWYMZKKF

Deviation = 11.09ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 264

KEYBWGSLLOHFFU

Deviation = 11.10ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 265

QCKFTKAJNSBOQD

Deviation = 11.11ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 266

UEDKDBGQYLFQGS

Deviation = 11.11ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 267

ZFZAWLMCEFYRTQ

Deviation = 11.13ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 268

GXVHONVTFVRBCR

Deviation = 11.16ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 269

XKZBPYHBKGSXOH

Deviation = 11.22ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 270

RWHJTCOWHKPHQQ

Deviation = 11.37ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 271

ROQBXRABNSZPFJ

Deviation = 11.37ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 272

KVZOBBLEQXPJPW

Deviation = 11.39ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 273

YIXYEQCJKUSLJV

Deviation = 11.39ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 274

XMLRERLCQQGTNL

Deviation = 11.40ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 275

QBFWSKDMKLYEHS

Deviation = 11.41ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 276

VFCYJYWMGVAHKP

Deviation = 11.41ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 277

FGNHOYKKNFOYAS

Deviation = 11.42ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 278

NOWBIBVPVSTGIN

Deviation = 11.49ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 279

DFWFYCJTRRMNGI

Deviation = 11.49ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 280

AMJNXCJWKLHXQW

Deviation = 11.54ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 281

KOHAXRKSHOWKTQ

Deviation = 11.56ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 282

KRTRBFFXBULAMO

Deviation = 11.58ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 283

RNOILIMCKHFJRY

Deviation = 11.60ppm

C9H10O3


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 284

IQERGSBRHNKYLF

Deviation = 11.61ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 285

AKBICXNCRYOVOP

Deviation = 11.61ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 286

AROVDDJIJHIYFE

Deviation = 11.62ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 287

MKMOIEOQPAVPRT

Deviation = 11.63ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 288

YVOCTSLRQLTSAO

Deviation = 11.64ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 289

KJRWBXVLDICRIZ

Deviation = 11.65ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 290

ASSHMTNHBAMLAC

Deviation = 11.71ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 291

OLYVWHORJQNIAM

Deviation = 11.74ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 292

YBQXQTPMYXSFDD

Deviation = 11.75ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 293

ZOEPENIGPNXLMZ

Deviation = 11.80ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 294

WKWRQSZMYYJOMJ

Deviation = 11.83ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 295

SWZMDVRNDOFNDT

Deviation = 11.84ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 296

AVYGMARXNQTWBC

Deviation = 11.85ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 297

ZGJDSKVKORTKLX

Deviation = 11.89ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 298

IPUMLWGYRTXKNI

Deviation = 11.92ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 299

GAYISHGNEWPPKM

Deviation = 11.93ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 300

STTNJTNWLXHNJU

Deviation = 12.01ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 301

UGNPXYBKDPBTAZ

Deviation = 12.07ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 302

FQTRISHWKLTWRG

Deviation = 12.08ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 303

LALDCDJFCFEURW

Deviation = 12.08ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 304

CEWWCBSTLHKJFX

Deviation = 12.09ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 305

YRKRCTUHARJKFY

Deviation = 12.10ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 306

HBINEQICOZWNSL

Deviation = 12.12ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 307

LUKPHSZZHVKDOA

Deviation = 12.13ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 308

DZGLCYQOXDYCJM

Deviation = 12.17ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 309

PKPNVURZKNXYET

Deviation = 12.19ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 310

YVDGXTUJBYXUCW

Deviation = 12.21ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 311

AIDYUKYZMLQMLP

Deviation = 12.24ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 312

LVGHHQCOFBJNMZ

Deviation = 12.35ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 313

YAHKFXHNLKRRDR

Deviation = 12.35ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 314

ZRGCAFKAFHLXKU

Deviation = 12.35ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 315

LCJOTLNSIZGQIF

Deviation = 12.36ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 316

YOVZWRZXEUHUOT

Deviation = 12.39ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 317

VLALSTLFAIXQKD

Deviation = 12.48ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 318

HICZNZYJVZAZPT

Deviation = 12.51ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 319

RVBZCQXYKVRJSN

Deviation = 12.52ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 320

DRTVJBQNDNLYDT

Deviation = 12.57ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 321

NQFDAAXSUNRQKQ

Deviation = 12.58ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 322

YCDOUJJLYMMTMZ

Deviation = 12.61ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 323

RAIGXMCAFJDSSJ

Deviation = 12.62ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 324

NBCKASRYFSLNNT

Deviation = 12.67ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 325

WWRIHNIBTJOVBB

Deviation = 12.70ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 326

BXTBUHOLZFSVKS

Deviation = 12.76ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 327

KMZARQVXCURNTE

Deviation = 12.77ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 328

HLLOHXQIIAAYHQ

Deviation = 12.78ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 329

NPDBQTKNPBRLCF

Deviation = 12.83ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 330

PJSBOZRZYLOZEI

Deviation = 12.86ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 331

MSPGOZGHESEZCS

Deviation = 12.87ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 332

MJXQPSYRSZDJJN

Deviation = 12.89ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 333

XNPWMZLKPKRUSW

Deviation = 12.90ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 334

MXVQFALEKLBNOI

Deviation = 12.95ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 335

BDPCWOKDSPMCAN

Deviation = 12.96ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 336

IWMXANGMJRTEGG

Deviation = 12.97ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 337

NEAUPLLGSJZDSR

Deviation = 12.97ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 338

GUSIPSNZBSISMD

Deviation = 13.01ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 339

DJGZZFREUOUDJT

Deviation = 13.01ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal

Recall this
Compound from
PUBCHEM
Proposal
Proposal
Proposal

Structure Proposal # 340

FQBYFSMIHPXZGT

Deviation = 13.02ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 341

UAXOJFQTIAEBHB

Deviation = 13.04ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 342

HEGDVYGQHPZUST

Deviation = 13.06ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 343

IJWMVPWEADXHOA

Deviation = 13.15ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 344

ZZEGJTCUCUPIIF

Deviation = 13.17ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 345

VRSBYXJKHDDQSO

Deviation = 13.23ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 346

WQXAHMGWCJKPIW

Deviation = 13.24ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 347

RYUUQXJEQJXJFY

Deviation = 13.24ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 348

FSEKCAPCHKGMMB

Deviation = 13.29ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 349

KPDUQHSDIAMRRG

Deviation = 13.42ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 350

JXWQBUFKHXPRBW

Deviation = 13.49ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 351

GMGBNSQHMIKWKE

Deviation = 13.51ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 352

VRAZZRHGGPKFJY

Deviation = 13.52ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 353

UYYOOJXQWCXXKA

Deviation = 13.54ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 354

LCQGHQDJNTYDSD

Deviation = 13.54ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 355

NSONKWLCHBUSNR

Deviation = 13.55ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 356

UHLLLTFDFLSLNO

Deviation = 13.63ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 357

WSGRVPYIPFTSAH

Deviation = 13.72ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 358

BNHXBGCOUXRBPM

Deviation = 13.80ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 359

OQSKUHZUINPFCG

Deviation = 13.85ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 360

UVVIYWLVLPFLPH

Deviation = 13.99ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 361

YHPYNLRMSZSIJJ

Deviation = 14.03ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 362

JFJBXMIZOLRCCG

Deviation = 14.06ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 363

SWERYRJMGINFBO

Deviation = 14.08ppm

C9H10O2


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Proposal
Proposal
Proposal

Structure Proposal # 364

GLOPTEPPYSBODJ

Deviation = 14.09ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 365

MRHWPLXDARWSMA

Deviation = 14.17ppm

C9H10O2


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Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 366

YQHJCFHPRJUFKS

Deviation = 14.22ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 367

BXXPFIOYMFVXLM

Deviation = 14.24ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 368

YWMAESPVFJUZED

Deviation = 14.27ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 369

GMLSINUAPVRUQP

Deviation = 14.32ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 370

NKDMXDINEYAMQA

Deviation = 14.43ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 371

ZEEFFPRKPFHZSG

Deviation = 14.45ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 372

FIEUIZWZTTZGKG

Deviation = 14.57ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 373

GGXAZWVLAKAQEB

Deviation = 14.60ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 374

ZEHOCFPBWAUKNI

Deviation = 14.73ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 375

FTPMUXAFQBGQNT

Deviation = 14.95ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 376

JADAQMHXUMTHHA

Deviation = 14.99ppm

C9H9FO2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 377

DCRMFZYIZZHQSX

Deviation = 15.08ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 378

CHEZHQJVUVQZDZ

Deviation = 15.15ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 379

KNQNKZHCBZXFQZ

Deviation = 15.15ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 380

WRAYUHSKUAIBRL

Deviation = 15.21ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 381

VHVDZJHLSNEHBH

Deviation = 15.24ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 382

ARHFHPLSXBAXPX

Deviation = 15.37ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 383

MZVIPAULKBQHLU

Deviation = 15.37ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 384

HZHZVPZHDRFFFF

Deviation = 15.47ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 385

SLLLYHANWHBOIT

Deviation = 15.52ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 386

HOELETPWMYNNAT

Deviation = 15.58ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 387

NRDXCGJRMBWSRZ

Deviation = 15.70ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 388

BARLLJFFFVZXGW

Deviation = 15.72ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 389

VLFYDBJSSGZIKS

Deviation = 15.75ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 390

VANOOPVZVSPRNS

Deviation = 15.79ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 391

FBLAOTZZAVQAFD

Deviation = 15.87ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 392

RBOURRDZBLNJFK

Deviation = 15.95ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 393

TVXUBIWQJFEDSN

Deviation = 16.07ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 394

KFUSEVXKAXLQFP

Deviation = 16.18ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 395

KNBSFLVDCCRFSR

Deviation = 16.23ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 396

KFUKETYLFRWHID

Deviation = 16.27ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 397

XHEJMYIUOSRYNX

Deviation = 16.35ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 398

XXKZWOZMWBZXSV

Deviation = 16.70ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 399

PRPPTRSMABRMFX

Deviation = 16.77ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 400

YLBFDNUOMCOTHI

Deviation = 16.85ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 401

NSURZVJCWLPTMO

Deviation = 16.89ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 402

JLCSUOXCMOKPPP

Deviation = 17.01ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 403

NSDNKHAIDIDJOW

Deviation = 17.03ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 404

NGJHYGQGQKUAKS

Deviation = 17.08ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 405

IDGPCQKKAQYLPJ

Deviation = 17.11ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 406

JHKHTKRPKKTWEQ

Deviation = 17.27ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 407

IEDFRTVYTUNTQU

Deviation = 17.49ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 408

FULBVSQZXRPKQN

Deviation = 17.54ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 409

GHACJVNPUCJZJR

Deviation = 18.36ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 410

PJRNAPKSPXKHDP

Deviation = 18.50ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 411

QODCGEWEFPWMIA

Deviation = 18.72ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 412

RGKMDYAWFQGIOF

Deviation = 18.79ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 413

YEGYLXSSCUOKJT

Deviation = 18.90ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 414

GVDSKUOFJPUZMI

Deviation = 18.94ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 415

RONSTVXLCRUTOV

Deviation = 19.27ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 416

NCDYBVRQLVAOPJ

Deviation = 19.30ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 417

LUTKUYZMUKCAPC

Deviation = 19.35ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 418

AJXNLAZWLGFQJZ

Deviation = 19.42ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 419

UAVRWDLFZIVGQI

Deviation = 19.42ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 420

APMXRJFUEVQCLN

Deviation = 19.53ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 421

WNGUPHSABKGNAP

Deviation = 19.58ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 422

XQWRIZZINPUPHH

Deviation = 19.81ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 423

CSWLYCVCBHEXNG

Deviation = 20.14ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 424

PQGBURMCVVSFID

Deviation = 20.15ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 425

XFLXFENKKMATSB

Deviation = 20.16ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 426

DOVVMMFQKMSPHL

Deviation = 20.54ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 427

BDADXTDCYLVTAX

Deviation = 20.64ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 428

SWTHXSTZYBPIOS

Deviation = 20.73ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 429

XWNVCKDLSBJADH

Deviation = 21.02ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 430

HJPSSSSVPOYHRX

Deviation = 21.05ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 431

MZMRTBLAUQWMTM

Deviation = 21.16ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 432

OOBMZIONMIWNTC

Deviation = 21.39ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 433

CJVQCYOHPPBHEL

Deviation = 21.63ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 434

BOMAZQQGMKTCFW

Deviation = 21.63ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 435

LXSKBBPFTCPZEE

Deviation = 21.85ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 436

YKTVMQDIUPUNCF

Deviation = 22.33ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 437

FGXBLLNDDIWHDE

Deviation = 22.38ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 438

XEXKUJTXJXXUPM

Deviation = 22.46ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 439

DZXSGZKLKUHEKD

Deviation = 22.49ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 440

WZHROPVHZQQEJB

Deviation = 22.79ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 441

IXIFAKBKFMPYQT

Deviation = 22.87ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 442

UEPYGTLZAIKZHT

Deviation = 23.08ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 443

RGQPMWSKHNKUMA

Deviation = 23.13ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 444

LGMGPRFSYBEZQP

Deviation = 23.75ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 445

CKVJNMARFLWFIS

Deviation = 24.38ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Structure Proposal # 446

DBYCUEOAQZBDIW

Deviation = 24.91ppm

C9H10O2


Search WEB for skeleton


Multiplicity different with
respect to your proposal
Proposal
Proposal
Proposal

Structure Proposal # 447

JGDSMWNTXVYONP

Deviation = 27.96ppm

C9H10O2


Search WEB for skeleton
Proposal
Proposal
Proposal

Summary of Structures: 236 Structures shown sorted by similarity, multiplicity fits

  Reasonable alternative structure  
  Structure available in CSEARCH  
  Structure available in PUBCHEM  

Proposal # 1
Similarity: 1.39ppm     FHEHIXJLCWUPCZ     PUBCHEM


Proposal
Proposal # 2
Similarity: 2.11ppm     KUTNYZKHIOOPSU


Proposal
Proposal # 3
Similarity: 2.22ppm     MGFOEPIZQPWAKJ


Proposal
Proposal # 4
Similarity: 2.33ppm     VDTGATXFFNRXIS


Proposal
Proposal # 5
Similarity: 2.43ppm     GYOCQZFCQZYFHX     PUBCHEM


Proposal
Proposal # 6
Similarity: 2.46ppm     DXQCJECCBSQDDG


Proposal
Proposal # 7
Similarity: 2.57ppm     RETYPRGBHSAGTG


Proposal
Proposal # 8
Similarity: 2.59ppm     OGKSXMUUPZVZIF     PUBCHEM


Proposal
Proposal # 9
Similarity: 2.69ppm     PQJIDDUWAKJOSM


Proposal
Proposal # 10
Similarity: 2.74ppm     KYCDZAFZDLPOQK


Proposal
Proposal # 11
Similarity: 2.94ppm     JFCOAIDFQNKPOL


Proposal
Proposal # 12
Similarity: 3.12ppm     MSTKAZXKBVSBNN     PUBCHEM


Proposal
Proposal # 13
Similarity: 3.19ppm     KMJOAUYPPWIQEI


Proposal
Proposal # 14
Similarity: 3.27ppm     ODRYQWPCEHKMBG


Proposal
Proposal # 15
Similarity: 3.32ppm     GCBIIIVWETUGOK


Proposal
Proposal # 16
Similarity: 3.33ppm     RGFLVHFOWPUKSM     PUBCHEM


Proposal
Proposal # 17
Similarity: 3.39ppm     HLWAZGVYRLFHOP


Proposal
Proposal # 18
Similarity: 3.45ppm     HQFUIGQNQQVTJD


Proposal
Proposal # 19
Similarity: 3.54ppm     GAQFUUSEYQFJNI     PUBCHEM


Proposal
Proposal # 20
Similarity: 3.60ppm     PARWTEYYJSDGQM     PUBCHEM


Proposal
Proposal # 21
Similarity: 3.74ppm     ZBXJUMVAFPZIHN


Proposal
Proposal # 22
Similarity: 3.75ppm     DSHHEFCQKICRDS     PUBCHEM


Proposal
Proposal # 23
Similarity: 3.79ppm     NYLNCQJZEXZLTQ


Proposal
Proposal # 24
Similarity: 3.83ppm     KQKQNNDUOUXSRC


Proposal
Proposal # 25
Similarity: 3.88ppm     GUKPLRXLMAODAV


Proposal
Proposal # 26
Similarity: 3.99ppm     CDQOEGBSPQXNPM


Proposal
Proposal # 27
Similarity: 4.04ppm     JZKXHEJJBQRVRS


Proposal
Proposal # 28
Similarity: 4.11ppm     QAMNZUDPUCLVDK     PUBCHEM


Proposal
Proposal # 29
Similarity: 4.20ppm     PWDCCKDZHAIHDH


Proposal
Proposal # 30
Similarity: 4.32ppm     IIONIRYYANETEZ


Proposal
Proposal # 31
Similarity: 4.36ppm     GUAZTQZHLVAYRM     PUBCHEM


Proposal
Proposal # 32
Similarity: 4.54ppm     MPBGORGEIQRCAC     PUBCHEM


Proposal
Proposal # 33
Similarity: 4.67ppm     NMLAPVYTPNDKSZ


Proposal
Proposal # 34
Similarity: 4.68ppm     OCWFAEPDCLHFTA     PUBCHEM


Proposal
Proposal # 35
Similarity: 4.70ppm     CSKPOLGSRCAKRI


Proposal
Proposal # 36
Similarity: 4.84ppm     APHUKQDPIGVOHB


Proposal
Proposal # 37
Similarity: 4.87ppm     CCYYGWZRVJONDR     PUBCHEM


Proposal
Proposal # 38
Similarity: 4.91ppm     CWEMEMQGPCUERS     PUBCHEM


Proposal
Proposal # 39
Similarity: 4.98ppm     FZGQZCXQOZFXMU


Proposal
Proposal # 40
Similarity: 5.04ppm     ZZYBVZPKHFYGMH


Proposal
Proposal # 41
Similarity: 5.09ppm     SJLJEBNIDRXIRV


Proposal
Proposal # 42
Similarity: 5.11ppm     XBFZIZYZCMHVIN     PUBCHEM


Proposal
Proposal # 43
Similarity: 5.15ppm     PPUFMBGOWOQXPM     PUBCHEM


Proposal
Proposal # 44
Similarity: 5.26ppm     JEITUHSGFWCELF


Proposal
Proposal # 45
Similarity: 5.26ppm     ROGGDPZPSLTGGI     PUBCHEM


Proposal
Proposal # 46
Similarity: 5.29ppm     OWGCTWSQCLTWHF


Proposal
Proposal # 47
Similarity: 5.33ppm     UZJWZDVCADQARQ     PUBCHEM


Proposal
Proposal # 48
Similarity: 5.35ppm     JAXNPZRXQGFHMK     PUBCHEM


Proposal
Proposal # 49
Similarity: 5.37ppm     FYSCWTCCSSHWDU


Proposal
Proposal # 50
Similarity: 5.40ppm     OQMJHIFLMQBJDP


Proposal
Proposal # 51
Similarity: 5.40ppm     TXZXVLOHYLAVSH


Proposal
Proposal # 52
Similarity: 5.43ppm     OYFMCMKHILAVHB     PUBCHEM


Proposal
Proposal # 53
Similarity: 5.69ppm     TZZZFGNAVOGWKM     PUBCHEM


Proposal
Proposal # 54
Similarity: 5.74ppm     ANHJRLYMAOROEZ     PUBCHEM


Proposal
Proposal # 55
Similarity: 5.74ppm     AZFORSDQDDFQSL


Proposal
Proposal # 56
Similarity: 5.90ppm     YWVPSICALHTURO


Proposal
Proposal # 57
Similarity: 5.93ppm     XMLSDKIAHYPSFH     PUBCHEM


Proposal
Proposal # 58
Similarity: 5.95ppm     WBNKWYFJERPHRJ


Proposal
Proposal # 59
Similarity: 6.00ppm     LBLZZLCANZXFQG


Proposal
Proposal # 60
Similarity: 6.02ppm     VXUCMXVCGIAHHR     PUBCHEM


Proposal
Proposal # 61
Similarity: 6.09ppm     OMGSKERCWHZUDE


Proposal
Proposal # 62
Similarity: 6.12ppm     NLVJWRSTNBYOPJ


Proposal
Proposal # 63
Similarity: 6.14ppm     NGFWPDVCPOGKLW


Proposal
Proposal # 64
Similarity: 6.23ppm     TXBYTHFKQSJQTG


Proposal
Proposal # 65
Similarity: 6.26ppm     BLFJDOPUCXCZCU


Proposal
Proposal # 66
Similarity: 6.29ppm     LQDWPLHHTIYUSB


Proposal
Proposal # 67
Similarity: 6.30ppm     DTUHIROUNLPZBJ     PUBCHEM


Proposal
Proposal # 68
Similarity: 6.33ppm     MZGJJSZEIQPMLH


Proposal
Proposal # 69
Similarity: 6.38ppm     ANXJKOQRMFAULQ


Proposal
Proposal # 70
Similarity: 6.39ppm     DNQJCCJEKXAYCA


Proposal
Proposal # 71
Similarity: 6.45ppm     YYLPYEYHJSAUEX


Proposal
Proposal # 72
Similarity: 6.52ppm     MEYZBZDCMCPXKJ


Proposal
Proposal # 73
Similarity: 6.53ppm     VKHWVIKSDIPSNZ


Proposal
Proposal # 74
Similarity: 6.58ppm     XCCRZGGDYSWDHR


Proposal
Proposal # 75
Similarity: 6.62ppm     ZXGYLIPXSQRNHW


Proposal
Proposal # 76
Similarity: 6.64ppm     ACVWPMQTLHURPM


Proposal
Proposal # 77
Similarity: 6.64ppm     UOJLVZAZFAUJGI     PUBCHEM


Proposal
Proposal # 78
Similarity: 6.65ppm     DAZDFLCAUUSEGM


Proposal
Proposal # 79
Similarity: 6.69ppm     LPYBACCFHMELSO


Proposal
Proposal # 80
Similarity: 6.74ppm     NFPFLKZBTYQFFO


Proposal
Proposal # 81
Similarity: 6.75ppm     WCWCVCFZKOHDTJ


Proposal
Proposal # 82
Similarity: 6.81ppm     SGWNPHJYVLYFGL     PUBCHEM


Proposal
Proposal # 83
Similarity: 6.83ppm     WUNQTXVVERFOSK     PUBCHEM


Proposal
Proposal # 84
Similarity: 6.91ppm     OODXVCHSJAVKJI


Proposal
Proposal # 85
Similarity: 6.93ppm     ZYGVPCHDJMZJSV


Proposal
Proposal # 86
Similarity: 6.94ppm     STHVPIVRTZCLAU


Proposal
Proposal # 87
Similarity: 7.05ppm     XOCXJTYAFRHDLG


Proposal
Proposal # 88
Similarity: 7.07ppm     RMDRONJWEHQFDQ


Proposal
Proposal # 89
Similarity: 7.11ppm     BILOXLHFQRGYNW     PUBCHEM


Proposal
Proposal # 90
Similarity: 7.24ppm     SXNFUDGXJIKBRY


Proposal
Proposal # 91
Similarity: 7.36ppm     OKFBQNGNYRMFRQ


Proposal
Proposal # 92
Similarity: 7.49ppm     MLYNXCJEZKJWKT


Proposal
Proposal # 93
Similarity: 7.52ppm     VGEDIRBVIPBXKX


Proposal
Proposal # 94
Similarity: 7.56ppm     FEUZYPCXZAARAP


Proposal
Proposal # 95
Similarity: 7.59ppm     JNICHPWDSRMTFV


Proposal
Proposal # 96
Similarity: 7.62ppm     NLGWLKVITRLTRE


Proposal
Proposal # 97
Similarity: 7.77ppm     PEWNEDFQXAWCPB


Proposal
Proposal # 98
Similarity: 7.79ppm     XABJECOVZPUXDO


Proposal
Proposal # 99
Similarity: 7.80ppm     OBJYLKPMAHKKPM


Proposal
Proposal # 100
Similarity: 7.86ppm     VTIPWPAXQSURBL


Proposal
Proposal # 101
Similarity: 7.86ppm     VGWOQUJLFUUQPQ


Proposal
Proposal # 102
Similarity: 7.87ppm     OJCBOPHDKWSYTD


Proposal
Proposal # 103
Similarity: 7.89ppm     DZWOGTBMXUXOBC     PUBCHEM


Proposal
Proposal # 104
Similarity: 7.93ppm     IFJVRLPDHJEBJG


Proposal
Proposal # 105
Similarity: 7.94ppm     IRQOTYKQNUSDHV


Proposal
Proposal # 106
Similarity: 7.96ppm     NREGCLIBILUHEG


Proposal
Proposal # 107
Similarity: 7.96ppm     MTHQZQLWTZGWOP


Proposal
Proposal # 108
Similarity: 8.02ppm     YLTVGHNRWAPURS


Proposal
Proposal # 109
Similarity: 8.14ppm     VGXFUYZAAGAZPJ


Proposal
Proposal # 110
Similarity: 8.21ppm     SZVZVTOLSZVZKQ


Proposal
Proposal # 111
Similarity: 8.26ppm     FTPWANQLOTYERJ


Proposal
Proposal # 112
Similarity: 8.27ppm     XCKAQGLZPUQVHL


Proposal
Proposal # 113
Similarity: 8.29ppm     DJMAAFULEXWPBC


Proposal
Proposal # 114
Similarity: 8.33ppm     RVLMQFZPQIEPFN


Proposal
Proposal # 115
Similarity: 8.51ppm     YADDFZQHAGNLOD


Proposal
Proposal # 116
Similarity: 8.60ppm     ORTYOOIAVQUMPJ


Proposal
Proposal # 117
Similarity: 8.74ppm     PDZGCGOYMPWTNJ


Proposal
Proposal # 118
Similarity: 8.74ppm     KXYGWGPZCHRSBI


Proposal
Proposal # 119
Similarity: 8.78ppm     LHHMHHJPKCZSLO


Proposal
Proposal # 120
Similarity: 8.83ppm     KQMRFFBAVDNWOX


Proposal
Proposal # 121
Similarity: 8.84ppm     VJQXRSOZWTUMRG


Proposal
Proposal # 122
Similarity: 8.84ppm     JWIJZFJTSBCUMH


Proposal
Proposal # 123
Similarity: 8.86ppm     JWXHOFJIVRNTKC


Proposal
Proposal # 124
Similarity: 8.87ppm     VZAPEYIJBOGGON


Proposal
Proposal # 125
Similarity: 8.89ppm     ZGJWOIJYRIEPCO


Proposal
Proposal # 126
Similarity: 8.91ppm     XZCPIJLUIRLHKQ


Proposal
Proposal # 127
Similarity: 8.91ppm     UOGIGXCIOGOGIH


Proposal
Proposal # 128
Similarity: 8.99ppm     AOQIXRRYZJRMEX


Proposal
Proposal # 129
Similarity: 9.12ppm     XZHBKBUETCGQSV


Proposal
Proposal # 130
Similarity: 9.26ppm     GJZLMBLJNGQUBY


Proposal
Proposal # 131
Similarity: 9.27ppm     VRHJFRLHFFOFTE


Proposal
Proposal # 132
Similarity: 9.38ppm     GKMQZJKFTKVMNX


Proposal
Proposal # 133
Similarity: 9.43ppm     TXDOUTSHLFEGLS


Proposal
Proposal # 134
Similarity: 9.49ppm     IHZCIVJOOQROSA


Proposal
Proposal # 135
Similarity: 9.58ppm     XUQQKKDUWGTYNC


Proposal
Proposal # 136
Similarity: 9.63ppm     CVJSBUZEXKDVML


Proposal
Proposal # 137
Similarity: 9.67ppm     WWXYAKQKKHDUFH


Proposal
Proposal # 138
Similarity: 9.70ppm     ITLWNKABZXFLAR


Proposal
Proposal # 139
Similarity: 9.74ppm     CVGOEPZDMBKDIA


Proposal
Proposal # 140
Similarity: 9.75ppm     WAIVXWNYENFTMW


Proposal
Proposal # 141
Similarity: 9.78ppm     ABDZIZUZPIKKPB


Proposal
Proposal # 142
Similarity: 9.79ppm     FWIYTLXTUNIXQV


Proposal
Proposal # 143
Similarity: 9.82ppm     BBPQBOUFTJXTSJ


Proposal
Proposal # 144
Similarity: 10.00ppm     SNEMSGGPOKEBRK


Proposal
Proposal # 145
Similarity: 10.00ppm     WGIPPWVUSYWCMX


Proposal
Proposal # 146
Similarity: 10.02ppm     OVWQHQYQPGUCBZ


Proposal
Proposal # 147
Similarity: 10.04ppm     TXJZZYKBAAXDOE


Proposal
Proposal # 148
Similarity: 10.20ppm     UDSHRTDKNUTVBH


Proposal
Proposal # 149
Similarity: 10.22ppm     IQIFZKHZWCBENE


Proposal
Proposal # 150
Similarity: 10.23ppm     GGESZROBOPKEJK


Proposal
Proposal # 151
Similarity: 10.26ppm     KJXRWCAVHIIDSD


Proposal
Proposal # 152
Similarity: 10.27ppm     SSUIHBQFULYTHB


Proposal
Proposal # 153
Similarity: 10.29ppm     VHEJGJSSCALCPM


Proposal
Proposal # 154
Similarity: 10.29ppm     ZDBCIVCWNKXGKO


Proposal
Proposal # 155
Similarity: 10.35ppm     CZAAZVSYIUODPY


Proposal
Proposal # 156
Similarity: 10.37ppm     CBWKLJGFDKENEC


Proposal
Proposal # 157
Similarity: 10.38ppm     SBHUXKSFJCEMDF


Proposal
Proposal # 158
Similarity: 10.41ppm     NKSDJALZDLRGCA


Proposal
Proposal # 159
Similarity: 10.51ppm     HPSLLTADLFPVNR


Proposal
Proposal # 160
Similarity: 10.61ppm     CEODQSYRBPOCCZ


Proposal
Proposal # 161
Similarity: 10.62ppm     GGDLSKAJWPRWHF


Proposal
Proposal # 162
Similarity: 10.69ppm     JOQOZAWESLGHAZ


Proposal
Proposal # 163
Similarity: 10.81ppm     WFKGXURNIFLELJ


Proposal
Proposal # 164
Similarity: 10.86ppm     CWEGLLOPARRYKH


Proposal
Proposal # 165
Similarity: 10.97ppm     IXXRQCYYPSPVSJ


Proposal
Proposal # 166
Similarity: 11.08ppm     ADJAEENERAVPCG     PUBCHEM


Proposal
Proposal # 167
Similarity: 11.10ppm     KEYBWGSLLOHFFU


Proposal
Proposal # 168
Similarity: 11.11ppm     QCKFTKAJNSBOQD


Proposal
Proposal # 169
Similarity: 11.16ppm     GXVHONVTFVRBCR


Proposal
Proposal # 170
Similarity: 11.22ppm     XKZBPYHBKGSXOH


Proposal
Proposal # 171
Similarity: 11.37ppm     RWHJTCOWHKPHQQ


Proposal
Proposal # 172
Similarity: 11.41ppm     VFCYJYWMGVAHKP


Proposal
Proposal # 173
Similarity: 11.54ppm     AMJNXCJWKLHXQW


Proposal
Proposal # 174
Similarity: 11.56ppm     KOHAXRKSHOWKTQ


Proposal
Proposal # 175
Similarity: 11.61ppm     IQERGSBRHNKYLF


Proposal
Proposal # 176
Similarity: 11.65ppm     KJRWBXVLDICRIZ


Proposal
Proposal # 177
Similarity: 11.80ppm     ZOEPENIGPNXLMZ


Proposal
Proposal # 178
Similarity: 11.92ppm     IPUMLWGYRTXKNI


Proposal
Proposal # 179
Similarity: 12.01ppm     STTNJTNWLXHNJU


Proposal
Proposal # 180
Similarity: 12.10ppm     YRKRCTUHARJKFY


Proposal
Proposal # 181
Similarity: 12.35ppm     ZRGCAFKAFHLXKU


Proposal
Proposal # 182
Similarity: 12.36ppm     LCJOTLNSIZGQIF


Proposal
Proposal # 183
Similarity: 12.48ppm     VLALSTLFAIXQKD


Proposal
Proposal # 184
Similarity: 12.52ppm     RVBZCQXYKVRJSN


Proposal
Proposal # 185
Similarity: 12.70ppm     WWRIHNIBTJOVBB


Proposal
Proposal # 186
Similarity: 12.83ppm     NPDBQTKNPBRLCF


Proposal
Proposal # 187
Similarity: 12.90ppm     XNPWMZLKPKRUSW


Proposal
Proposal # 188
Similarity: 12.97ppm     NEAUPLLGSJZDSR


Proposal
Proposal # 189
Similarity: 13.06ppm     HEGDVYGQHPZUST


Proposal
Proposal # 190
Similarity: 13.24ppm     RYUUQXJEQJXJFY


Proposal
Proposal # 191
Similarity: 13.29ppm     FSEKCAPCHKGMMB


Proposal
Proposal # 192
Similarity: 14.03ppm     YHPYNLRMSZSIJJ


Proposal
Proposal # 193
Similarity: 14.08ppm     SWERYRJMGINFBO


Proposal
Proposal # 194
Similarity: 14.24ppm     BXXPFIOYMFVXLM


Proposal
Proposal # 195
Similarity: 14.27ppm     YWMAESPVFJUZED


Proposal
Proposal # 196
Similarity: 14.43ppm     NKDMXDINEYAMQA


Proposal
Proposal # 197
Similarity: 14.60ppm     GGXAZWVLAKAQEB


Proposal
Proposal # 198
Similarity: 15.15ppm     KNQNKZHCBZXFQZ


Proposal
Proposal # 199
Similarity: 15.21ppm     WRAYUHSKUAIBRL


Proposal
Proposal # 200
Similarity: 15.58ppm     HOELETPWMYNNAT


Proposal
Proposal # 201
Similarity: 15.70ppm     NRDXCGJRMBWSRZ


Proposal
Proposal # 202
Similarity: 15.87ppm     FBLAOTZZAVQAFD


Proposal
Proposal # 203
Similarity: 16.07ppm     TVXUBIWQJFEDSN


Proposal
Proposal # 204
Similarity: 16.18ppm     KFUSEVXKAXLQFP


Proposal
Proposal # 205
Similarity: 16.27ppm     KFUKETYLFRWHID


Proposal
Proposal # 206
Similarity: 16.35ppm     XHEJMYIUOSRYNX


Proposal
Proposal # 207
Similarity: 16.70ppm     XXKZWOZMWBZXSV


Proposal
Proposal # 208
Similarity: 16.89ppm     NSURZVJCWLPTMO


Proposal
Proposal # 209
Similarity: 17.01ppm     JLCSUOXCMOKPPP


Proposal
Proposal # 210
Similarity: 17.08ppm     NGJHYGQGQKUAKS


Proposal
Proposal # 211
Similarity: 17.27ppm     JHKHTKRPKKTWEQ


Proposal
Proposal # 212
Similarity: 18.50ppm     PJRNAPKSPXKHDP


Proposal
Proposal # 213
Similarity: 18.72ppm     QODCGEWEFPWMIA


Proposal
Proposal # 214
Similarity: 18.79ppm     RGKMDYAWFQGIOF


Proposal
Proposal # 215
Similarity: 18.90ppm     YEGYLXSSCUOKJT


Proposal
Proposal # 216
Similarity: 19.35ppm     LUTKUYZMUKCAPC


Proposal
Proposal # 217
Similarity: 19.42ppm     AJXNLAZWLGFQJZ


Proposal
Proposal # 218
Similarity: 19.42ppm     UAVRWDLFZIVGQI


Proposal
Proposal # 219
Similarity: 19.53ppm     APMXRJFUEVQCLN


Proposal
Proposal # 220
Similarity: 19.58ppm     WNGUPHSABKGNAP


Proposal
Proposal # 221
Similarity: 19.81ppm     XQWRIZZINPUPHH


Proposal
Proposal # 222
Similarity: 20.16ppm     XFLXFENKKMATSB


Proposal
Proposal # 223
Similarity: 21.02ppm     XWNVCKDLSBJADH


Proposal
Proposal # 224
Similarity: 21.16ppm     MZMRTBLAUQWMTM


Proposal
Proposal # 225
Similarity: 21.39ppm     OOBMZIONMIWNTC


Proposal
Proposal # 226
Similarity: 21.63ppm     CJVQCYOHPPBHEL


Proposal
Proposal # 227
Similarity: 21.63ppm     BOMAZQQGMKTCFW


Proposal
Proposal # 228
Similarity: 21.85ppm     LXSKBBPFTCPZEE


Proposal
Proposal # 229
Similarity: 22.33ppm     YKTVMQDIUPUNCF


Proposal
Proposal # 230
Similarity: 22.38ppm     FGXBLLNDDIWHDE


Proposal
Proposal # 231
Similarity: 22.49ppm     DZXSGZKLKUHEKD


Proposal
Proposal # 232
Similarity: 22.79ppm     WZHROPVHZQQEJB


Proposal
Proposal # 233
Similarity: 23.08ppm     UEPYGTLZAIKZHT


Proposal
Proposal # 234
Similarity: 23.13ppm     RGQPMWSKHNKUMA


Proposal
Proposal # 235
Similarity: 24.38ppm     CKVJNMARFLWFIS


Proposal
Proposal # 236
Similarity: 27.96ppm     JGDSMWNTXVYONP


Proposal

Showing only structures either existing in CSEARCH or PUBCHEM


Proposal # 1
Similarity: 1.39ppm     FHEHIXJLCWUPCZ     PUBCHEM


Proposal
Proposal # 5
Similarity: 2.43ppm     GYOCQZFCQZYFHX     PUBCHEM


Proposal
Proposal # 8
Similarity: 2.59ppm     OGKSXMUUPZVZIF     PUBCHEM


Proposal
Proposal # 12
Similarity: 3.12ppm     MSTKAZXKBVSBNN     PUBCHEM


Proposal
Proposal # 16
Similarity: 3.33ppm     RGFLVHFOWPUKSM     PUBCHEM


Proposal
Proposal # 19
Similarity: 3.54ppm     GAQFUUSEYQFJNI     PUBCHEM


Proposal
Proposal # 20
Similarity: 3.60ppm     PARWTEYYJSDGQM     PUBCHEM


Proposal
Proposal # 22
Similarity: 3.75ppm     DSHHEFCQKICRDS     PUBCHEM


Proposal
Proposal # 28
Similarity: 4.11ppm     QAMNZUDPUCLVDK     PUBCHEM


Proposal
Proposal # 31
Similarity: 4.36ppm     GUAZTQZHLVAYRM     PUBCHEM


Proposal
Proposal # 32
Similarity: 4.54ppm     MPBGORGEIQRCAC     PUBCHEM


Proposal
Proposal # 34
Similarity: 4.68ppm     OCWFAEPDCLHFTA     PUBCHEM


Proposal
Proposal # 37
Similarity: 4.87ppm     CCYYGWZRVJONDR     PUBCHEM


Proposal
Proposal # 38
Similarity: 4.91ppm     CWEMEMQGPCUERS     PUBCHEM


Proposal
Proposal # 42
Similarity: 5.11ppm     XBFZIZYZCMHVIN     PUBCHEM


Proposal
Proposal # 43
Similarity: 5.15ppm     PPUFMBGOWOQXPM     PUBCHEM


Proposal
Proposal # 45
Similarity: 5.26ppm     ROGGDPZPSLTGGI     PUBCHEM


Proposal
Proposal # 47
Similarity: 5.33ppm     UZJWZDVCADQARQ     PUBCHEM


Proposal
Proposal # 48
Similarity: 5.35ppm     JAXNPZRXQGFHMK     PUBCHEM


Proposal
Proposal # 52
Similarity: 5.43ppm     OYFMCMKHILAVHB     PUBCHEM


Proposal
Proposal # 53
Similarity: 5.69ppm     TZZZFGNAVOGWKM     PUBCHEM


Proposal
Proposal # 54
Similarity: 5.74ppm     ANHJRLYMAOROEZ     PUBCHEM


Proposal
Proposal # 57
Similarity: 5.93ppm     XMLSDKIAHYPSFH     PUBCHEM


Proposal
Proposal # 60
Similarity: 6.02ppm     VXUCMXVCGIAHHR     PUBCHEM


Proposal
Proposal # 67
Similarity: 6.30ppm     DTUHIROUNLPZBJ     PUBCHEM


Proposal
Proposal # 77
Similarity: 6.64ppm     UOJLVZAZFAUJGI     PUBCHEM


Proposal
Proposal # 82
Similarity: 6.81ppm     SGWNPHJYVLYFGL     PUBCHEM


Proposal
Proposal # 83
Similarity: 6.83ppm     WUNQTXVVERFOSK     PUBCHEM


Proposal
Proposal # 89
Similarity: 7.11ppm     BILOXLHFQRGYNW     PUBCHEM


Proposal
Proposal # 103
Similarity: 7.89ppm     DZWOGTBMXUXOBC     PUBCHEM


Proposal
Proposal # 166
Similarity: 11.08ppm     ADJAEENERAVPCG     PUBCHEM


Proposal



Summary of searching for alternative Structures


Project: Workshop
Compound: Example_2

Evaluation gave "MAJOR REVISION"

  Your assignment  
 Difference to predicted values 
Highlighting
Highlighting

  Your proposal   Best proposal   Best proposal (out of 31) which exists  
either in CSEARCH or PUBCHEM

  Deviation = 6.02 ppm  
Position = 60


  Deviation = 1.39 ppm  

Deviation = 1.39 ppm
Position = 1


Number of reasonable alternative structures: 54

Project: Workshop
Compound: Example_2

Your proposal
Best proposal
Best existing proposal
VXUCMXVCGIAHHR
FHEHIXJLCWUPCZ
FHEHIXJLCWUPCZ
C9H10O2
C9H10O2
C9H10O2

Scanning structural space:
Completed
CPU used:
28.566 seconds
Structures processed:
447
Isomers / Non-Isomers:
339 / 108
Structures with correct multiplicity:
236
Structures available in CSEARCH or PUBCHEM:
31
CSEARCH-Database: Version 9.4.0     CSEARCH-Robot-Referee from 2017:06:10


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Page has been automatically written by CSEARCH
CPU-Usage: Evaluation needed 8.064 seconds
Wolfgang.Robien(at)univie.ac.at