5-[(aminocarbothioyl)amino]-2-chlorobenzoic acid

SpectraBase Compound ID	JDU2x4qdunD
InChI	InChI=1S/C8H7ClN2O2S/c9-6-2-1-4(11-8(10)14)3-5(6)7(12)13/h1-3H,(H,12,13)(H3,10,11,14)
InChIKey	DQHMKUUXHZHRLI-UHFFFAOYSA-N Google Search
Mol Weight	230.67 g/mol
Molecular Formula	C8H7ClN2O2S
Exact Mass	229.991676 g/mol

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SpectraBase Spectrum ID	4vDoL65utVx
Name	5-[(aminocarbothioyl)amino]-2-chlorobenzoic acid
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/C8H7ClN2O2S/c9-6-2-1-4(11-8(10)14)3-5(6)7(12)13/h1-3H,(H,12,13)(H3,10,11,14)
InChIKey	DQHMKUUXHZHRLI-UHFFFAOYSA-N
NMR Offset	16.1752
NMR Spectrometer Frequency	200.133
Observed nucleus	1H
Origin	1H_ASIOH_7529_2495
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/9253316; Labnumber: LD-1000011
Temperature	313 °C