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

SpectraBase Compound ID	9dkqUbipvRu
InChI	InChI=1S/C15H11BrN4O2S/c16-12-5-11(6-17-7-12)13-18-19-15(23)20(13)8-9-2-1-3-10(4-9)14(21)22/h1-7H,8H2,(H,19,23)(H,21,22)
InChIKey	CUZSSPXYRLWPNA-UHFFFAOYSA-N Google Search
Mol Weight	391.24 g/mol
Molecular Formula	C15H11BrN4O2S
Exact Mass	389.97861 g/mol

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SpectraBase Spectrum ID	9wNynAQpDsH
Name	benzoic acid, 3-[[3-(5-bromo-3-pyridinyl)-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/C15H11BrN4O2S/c16-12-5-11(6-17-7-12)13-18-19-15(23)20(13)8-9-2-1-3-10(4-9)14(21)22/h1-7H,8H2,(H,19,23)(H,21,22)
InChIKey	CUZSSPXYRLWPNA-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_6962
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/18277177; Labnumber: OBK-8541