benzoic acid, 5-[[(3-aminothieno[2,3-b]pyridin-2-yl)carbonyl]amino]-2-chloro-, methyl ester

SpectraBase Compound ID	3amvLhkm0DZ
InChI	InChI=1S/C16H12ClN3O3S/c1-23-16(22)10-7-8(4-5-11(10)17)20-14(21)13-12(18)9-3-2-6-19-15(9)24-13/h2-7H,18H2,1H3,(H,20,21)
InChIKey	ZDWSQPIRBYPWQV-UHFFFAOYSA-N Google Search
Mol Weight	361.8 g/mol
Molecular Formula	C16H12ClN3O3S
Exact Mass	361.02879 g/mol

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SpectraBase Spectrum ID	KU8Gs8hgD3p
Name	benzoic acid, 5-[[(3-aminothieno[2,3-b]pyridin-2-yl)carbonyl]amino]-2-chloro-, methyl 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/C16H12ClN3O3S/c1-23-16(22)10-7-8(4-5-11(10)17)20-14(21)13-12(18)9-3-2-6-19-15(9)24-13/h2-7H,18H2,1H3,(H,20,21)
InChIKey	ZDWSQPIRBYPWQV-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_4885
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: F23391; Labnumber: ALEKS1-32115