Spectral Similarity Search

Spectral Similarity Search based on
74,435,185 Structures from PUBCHEM using
CSEARCH - Technology

Summary of your Requests

Requested by:	wolfgang.robien@univie.ac.at
Requested on:	2021:04:27 at 11:48
This page will be kept for 30 days here
Name of Project:	MOLECULES,19,13147[2014]CSEARCH-NUMBER:UWIR015110-20210427
Name of Compound:	MORACIN-M_COMPOUND-7

Overview	Request: 1	Request: 2	Request: 3	Request: 4

Number of lines	12	12	12	12
Multiplicity given	No	No	No	No
Solvent detected	No	No	No	No
Solvent eliminated	No	No	No	No
Deviation modified	No	Yes	Yes	No

Signals from	10	10	11	11
Signals to	18	18	13	13

Molweight from	136.00	136.00	148.00	148.00
Molweight to	632.00	632.00	632.00	632.00

Element must be present	O	O	O	O
Element must be absent	N,P,S,F,Cl,Br,I,other	N,P,S,F,Cl,Br,I,other	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)	10734	502	872	5848
Proposals analyzed	0	100	100	537
Coincident lines	12	12	10	12
Best deviation (ppm)	*****	1.58	1.38	1.38

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

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

1.38 - 1.38ppm	2x found	LHPRYOJTASOZGJ

1.58 - 1.58ppm	1x found	VBKNFQUHXXADOB

1.59 - 1.59ppm	1x found	DJCQGJMOZGMAKD

1.69 - 1.69ppm	3x found	YMVQXWHZYZTWBQ

1.77 - 1.77ppm	2x found	ZZTDCNYCFAJAMX

2.00 - 2.00ppm	1x found	CNJCONYWSVCVPR

2.03 - 2.03ppm	3x found	XNQMQHZVMHITPJ

2.04 - 2.04ppm	1x found	FTTDKLMEWYEQRQ

2.09 - 2.09ppm	1x found	HEKQJCDXSSPYAW

2.16 - 2.16ppm	2x found	IZAVXLXZDWCTOM

2.18 - 2.18ppm	1x found	HYFWTVWZCZMWEZ

2.23 - 2.23ppm	2x found	KMEGVIUPYOAGIO

2.23 - 2.23ppm	1x found	STTFUJUCFPJSOI

2.23 - 2.23ppm	1x found	GOQIZPVZGYUGIA

2.24 - 2.24ppm	2x found	FLVROUNAFWXBQG

2.27 - 2.27ppm	3x found	UEANSGRAKNIYQF

2.27 - 2.27ppm	1x found	OHVHPHOWNRTMHJ

2.30 - 2.30ppm	3x found	LSWFRDVCGWNTOD

2.31 - 2.31ppm	1x found	NGWKAFVCQADWNC

2.31 - 2.31ppm	1x found	QQOZPFUPPWYFEP

2.35 - 2.35ppm	1x found	BXHOOISUHNRJMT

2.35 - 2.35ppm	1x found	BIFIUYPXCGSSAG

2.40 - 2.40ppm	2x found	CLISVYULUJVCKS

2.46 - 2.46ppm	1x found	QZHPULUCDRQBCD

2.46 - 2.46ppm	1x found	IGEYIFVSWVWOOG

2.47 - 2.47ppm	1x found	DSQKXZPAVBOPQT

2.48 - 2.48ppm	1x found	ZENZAXDBZIONHX

2.48 - 2.48ppm	1x found	IAPYSXPHORKQLW

2.49 - 2.49ppm	1x found	KLWRBRYIJRRCPI

2.50 - 2.50ppm	1x found	UMQNDJZWMCPHGP

2.52 - 2.52ppm	1x found	HGSCJJRXLPFPEF

2.53 - 2.53ppm	1x found	BSCGKRJIXHASBH

2.60 - 2.60ppm	1x found	UQMFXRFXXHHHGD

2.64 - 2.64ppm	1x found	WVHDMSGSTCTZIN

2.64 - 2.64ppm	1x found	AZTBIIGOQICCQR

2.65 - 2.65ppm	1x found	SFFRDZLSPHLHGQ

2.71 - 2.71ppm	1x found	WJWRHVUAFZBOHR

2.71 - 2.71ppm	1x found	HKTQGSVHSCFDJG

2.72 - 2.72ppm	2x found	ICMQNPUWZFJIFD

2.77 - 2.77ppm	1x found	QKRYILGQFPARIJ

2.85 - 2.85ppm	1x found	NYABJYCHBKANAG

2.89 - 2.89ppm	2x found	GQPGOUIICUDAJZ

2.94 - 2.94ppm	1x found	GDNIGMNXEKGFIP

2.97 - 2.97ppm	1x found	DYJLVPLUVXXKKJ

3.30 - 3.30ppm	1x found	YHLLABKHTFWHSZ

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 2021:04:27 at 11:48

Have a nice day !