Spectral Similarity Search

Spectral Similarity Search based on
144,833,798 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 19:24
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	19:19	19:23

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)	4653	7348
Proposals analyzed	51	31
Coincident lines	5	5
Best deviation (ppm)	2.73	2.21
CPU-Usage (seconds)	278.15	347.44

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

Total number of spectra searched: 289,667,596 in 626 seconds

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

2.21 - 2.21ppm	1x found	TYFMINBPAYVYCW

2.73 - 2.73ppm	2x found	VUXQCEFKOQUTQO

2.77 - 3.72ppm	2x found	ZNXRPIKPYJZPNI

2.96 - 2.96ppm	2x found	YQKXIRZLKBWITR

3.31 - 3.31ppm	1x found	GJYJNGCLZFAEMH

3.38 - 3.38ppm	1x found	ARYJKUMSSIOOOH

3.38 - 3.38ppm	1x found	BBMCTIGTTCKYKF

3.40 - 3.40ppm	2x found	AMQJEAYHLZJPGS

3.41 - 3.41ppm	2x found	JPVJIJBICKBKSH

3.44 - 3.44ppm	2x found	ZSIAUFGUXNUGDI

3.54 - 4.35ppm	2x found	OARDGAWFHAUOJC

3.54 - 3.54ppm	1x found	RUFMEDUWOSHOHF

3.56 - 3.56ppm	1x found	OTVBAIYXRCXJKL

3.72 - 3.72ppm	2x found	USTOPXSKJLOMKG

3.74 - 3.74ppm	2x found	XEKOWRVHYACXOJ

3.77 - 3.77ppm	1x found	OKQNTQARVDVCHK

4.02 - 4.32ppm	2x found	OBNCKNCVKJNDBV

4.04 - 4.04ppm	1x found	MKNBWAXUAMKIOZ

4.04 - 4.04ppm	1x found	WZLNCRVWIKHJER

4.11 - 4.11ppm	2x found	PDHCCQJYEKLVRY

4.15 - 4.15ppm	2x found	QSLNWESTNWAWCD

4.23 - 4.23ppm	1x found	KYFIXARGJXDBJJ

4.26 - 4.26ppm	1x found	HFYYMLXNNBCFAY

4.33 - 4.33ppm	1x found	FPXAEZNSBIIYFJ

4.33 - 4.33ppm	1x found	LZCLXQDLBQLTDK

4.36 - 4.36ppm	1x found	RLVPCYMDLYVFHH

4.57 - 4.57ppm	1x found	MHBOACTUGJRRKF

4.65 - 4.65ppm	1x found	IMNXURKAQGHYAH

4.70 - 4.70ppm	2x found	SFMRLHJNHWEFDX

4.75 - 4.75ppm	1x found	APXBKUAJSWJTRL

5.23 - 5.23ppm	1x found	HPLLJBRTSULDDV

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 19:24

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