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

SpectraBase Compound ID	6l3Q6YZWh2D
InChI	InChI=1S/C16H11Cl2N3O2S/c17-11-4-5-12(13(18)7-11)14-19-20-16(24)21(14)8-9-2-1-3-10(6-9)15(22)23/h1-7H,8H2,(H,20,24)(H,22,23)
InChIKey	JDNXUCKIRQTLJI-UHFFFAOYSA-N Google Search
Mol Weight	380.25 g/mol
Molecular Formula	C16H11Cl2N3O2S
Exact Mass	378.994903 g/mol

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SpectraBase Spectrum ID	2XypkXtWXJc
Name	benzoic acid, 3-[[3-(2,4-dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]methyl]-
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/C16H11Cl2N3O2S/c17-11-4-5-12(13(18)7-11)14-19-20-16(24)21(14)8-9-2-1-3-10(6-9)15(22)23/h1-7H,8H2,(H,20,24)(H,22,23)
InChIKey	JDNXUCKIRQTLJI-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_5823
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/18217297; Labnumber: OBK-8304