benzoic acid, 4-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester

SpectraBase Compound ID	1M4itVocFGp
InChI	InChI=1S/C22H20N4O3S/c1-3-29-21(28)15-8-10-16(11-9-15)23-20(27)13-30-22-25-24-19-12-14(2)17-6-4-5-7-18(17)26(19)22/h4-12H,3,13H2,1-2H3,(H,23,27)
InChIKey	JJDNWIOKIKHOEX-UHFFFAOYSA-N Google Search
Mol Weight	420.49 g/mol
Molecular Formula	C22H20N4O3S
Exact Mass	420.125612 g/mol

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SpectraBase Spectrum ID	AkVuX1NJbZK
Name	benzoic acid, 4-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H20N4O3S/c1-3-29-21(28)15-8-10-16(11-9-15)23-20(27)13-30-22-25-24-19-12-14(2)17-6-4-5-7-18(17)26(19)22/h4-12H,3,13H2,1-2H3,(H,23,27)
InChIKey	JJDNWIOKIKHOEX-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_852
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11228538