Spectral Similarity Search

Spectral Similarity Search based on
20,000,000 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 19:11
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	19:07	19:08
Job finished	19:09	19:11

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)	2886	4229
Proposals analyzed	51	14
Coincident lines	5	5
Best deviation (ppm)	3.82	3.49
CPU-Usage (seconds)	47.65	64.25

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

Total number of spectra searched: 40,000,000 in 112 seconds

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

3.49 - 3.49ppm	1x found	LAWCUGGFTNCCKX

3.82 - 3.82ppm	1x found	QHOFHRHGMVSHCQ

3.85 - 3.85ppm	1x found	ZLXIQGKKYBVHAW

3.85 - 3.85ppm	1x found	PHPVAGXZXAHNIJ

3.94 - 3.94ppm	1x found	JGBLVVQAZJCZED

4.24 - 4.24ppm	1x found	YLBSGXAZACMXQK

4.28 - 4.28ppm	1x found	RRUPDGSLWBNUSW

4.46 - 4.46ppm	1x found	MLKQXIPGHOLEQI

4.60 - 4.60ppm	1x found	PNZSQYMQKDYYDJ

4.70 - 4.70ppm	1x found	DRDGAMGKENXWCN

4.72 - 4.72ppm	1x found	HQZWXOPRWOPVAU

4.78 - 4.78ppm	1x found	RPKFKSYMKPKZHO

4.90 - 4.90ppm	1x found	LOABURPYMMQUIT

5.10 - 5.10ppm	1x found	HDESMDVUQOYCMC

5.12 - 5.12ppm	1x found	QJQMTQIRFXBQEU

5.25 - 5.25ppm	1x found	CRVCBHWPBDXCDX

5.87 - 5.87ppm	1x found	YDMXGLHNPWXWND

5.92 - 5.92ppm	1x found	AFXAYZSYHSLFGG

5.94 - 5.94ppm	1x found	UBJMOXHHNZUDRL

6.04 - 6.45ppm	2x found	ODZSNSOKRZBPDY

6.26 - 6.26ppm	1x found	HBGRMNFFAOTRDL

6.70 - 6.70ppm	1x found	XDZLYFBRUGYBSU

6.82 - 6.90ppm	2x found	GQIWAJFJHVXXBY

8.26 - 8.26ppm	1x found	LSONYXQSJHZPCV

8.43 - 8.43ppm	1x found	GTUSACQZTIXZFX

8.65 - 8.65ppm	1x found	WQZCEYRBPLRVQT

8.75 - 8.75ppm	1x found	QIJHBLJRPKBWEU

9.45 - 9.45ppm	1x found	HUZIABIIKFXMOH

9.47 - 9.47ppm	1x found	RINCXYDBBGOEEQ

9.51 - 9.51ppm	1x found	WPNREIWMCOZWLX

9.51 - 9.51ppm	1x found	LNDNUFLSISIDOD

9.56 - 9.56ppm	1x found	ZOUPILGYBSRVKU

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 19:11

Have a nice day !