benzoic acid, 4-[3-[(4-chlorophenyl)methyl]-5-mercapto-4H-1,2,4-triazol-4-yl]-

SpectraBase Compound ID	8eLLogjpSxE
InChI	InChI=1S/C16H12ClN3O2S/c17-12-5-1-10(2-6-12)9-14-18-19-16(23)20(14)13-7-3-11(4-8-13)15(21)22/h1-8H,9H2,(H,19,23)(H,21,22)
InChIKey	ZMAAJZGYXWDWSP-UHFFFAOYSA-N Google Search
Mol Weight	345.8 g/mol
Molecular Formula	C16H12ClN3O2S
Exact Mass	345.033876 g/mol

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SpectraBase Spectrum ID	2mf2dfSxqqK
Name	benzoic acid, 4-[3-[(4-chlorophenyl)methyl]-5-mercapto-4H-1,2,4-triazol-4-yl]-
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/C16H12ClN3O2S/c17-12-5-1-10(2-6-12)9-14-18-19-16(23)20(14)13-7-3-11(4-8-13)15(21)22/h1-8H,9H2,(H,19,23)(H,21,22)
InChIKey	ZMAAJZGYXWDWSP-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2584
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/11241495; Labnumber: OBK-0004836