Spectral Similarity Search

Spectral Similarity Search based on
177,099,966 Structures
downloadable from the INTERNET
using CSEARCH - Technology

Summary of your Requests

Request submitted via:
Requested by:	test@test123.abc.info
Requested on:	2021:05:19 at 19:28
This page will be kept for 30 days here
Name of Project:	Test1
Comment:	Dereplication-engine
Name of Compound:	Propionic_acid,ethylester 400MHz

Overview	Request: 1	Request: 2
Input	Original data	Modified data
Job started	19:08	19:09
Job finished	19:27	19:15

Number of lines	5	5
Multiplicity given	Yes	No
Solvent detected	No	No
Solvent eliminated	No	No
Deviation modified	No	No

Signals from	3	3
Signals to	7	7

Molweight from	85.00	85.00
Molweight to	120.00	120.00

Element must be present	O	O
Element must be absent	N,P,S,F,Cl,Br,I,other	N,P,S,F,Cl,Br,I,other
Element may be present/absent

Proposals found (max. 10,000)	8680	1591
Proposals analyzed	152	22
Coincident lines	5	5
Best deviation (ppm)	0.81	0.81
CPU-Usage (seconds)	457.83	177.56

Recall request	Details PDF Preview ZIP-File Download ZIP-File	Details PDF Preview ZIP-File Download ZIP-File

Total number of spectra searched: 354,199,932 in 635 seconds

Summary of the "Best Proposals" from all your requests shown above

0.81 - 0.87ppm	6x found	FKRCODPIKNYEAC

0.81 - 0.81ppm	2x found	IRGLFRDZYNBBCO

0.87 - 0.87ppm	2x found	JLCVJTLAUOPPFG

1.75 - 1.75ppm	1x found	SSRGPASETRMVON

2.02 - 2.02ppm	2x found	SRWDELNQQOGFGE

2.58 - 2.58ppm	1x found	GZXNSZKTVVWAKU

2.85 - 2.85ppm	1x found	WZLNCRVWIKHJER

2.93 - 2.93ppm	2x found	VNCTWNKFZURVGF

2.99 - 2.99ppm	1x found	NUMQCACRALPSHD

2.99 - 2.99ppm	1x found	BZVVMENFRMVWLO

3.07 - 3.07ppm	1x found	GSKYFKHLAGYZDU

3.24 - 3.24ppm	1x found	CDQBJCILHGTWBX

3.27 - 3.27ppm	2x found	ZRKANPPNISQQGA

3.30 - 3.30ppm	4x found	XJFUMKLBHKVVOM

3.32 - 3.32ppm	1x found	ZZJKPPUKODAOML

3.35 - 3.35ppm	1x found	WLPYHZGVXMAZET

3.38 - 3.38ppm	2x found	BBMCTIGTTCKYKF

3.38 - 3.38ppm	1x found	GORPBXJSOXJRJC

3.38 - 3.38ppm	1x found	XBKKJRZFSVTKGZ

3.39 - 3.39ppm	1x found	FRESAHHZYKWMSE

3.40 - 3.40ppm	1x found	QNBMMTAJSMBXKY

3.40 - 3.40ppm	1x found	LBFCRPJWCIHPSX

3.40 - 3.40ppm	8x found	AMQJEAYHLZJPGS

3.63 - 3.63ppm	1x found	SIOSIFTVQXCKHF

3.98 - 3.98ppm	1x found	SQWBZVNZMXUDFY

4.72 - 4.72ppm	1x found	BIFODGMOCCJWOI

5.25 - 5.25ppm	1x found	YTEGYFGYGIPBPK

5.61 - 5.61ppm	1x found	HIHLRSKFLUZMFZ

6.01 - 6.01ppm	1x found	VNLWRJLKFZXXCL

8.84 - 9.70ppm	2x found	XKQXOPMMXGTFOA

In case you want to verify your structure proposal and/or your ¹³C assignment
then use the CSEARCH-Robot-Referee

Page written by Wolfgang Robien using CSEARCH-Technology
Contact: Wolfgang.Robien(-at-)univie.ac.at
Page written on 2021:05:19 at 19:28

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