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

SpectraBase Compound ID	LWTHUK3sFI4
InChI	InChI=1S/C15H12N4O2S/c20-14(21)12-3-1-2-10(8-12)9-19-13(17-18-15(19)22)11-4-6-16-7-5-11/h1-8H,9H2,(H,18,22)(H,20,21)
InChIKey	PBPNFBYQCPMFHI-UHFFFAOYSA-N Google Search
Mol Weight	312.35 g/mol
Molecular Formula	C15H12N4O2S
Exact Mass	312.068097 g/mol

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SpectraBase Spectrum ID	8QFJabToVaG
Name	benzoic acid, 3-[[3-mercapto-5-(4-pyridinyl)-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/C15H12N4O2S/c20-14(21)12-3-1-2-10(8-12)9-19-13(17-18-15(19)22)11-4-6-16-7-5-11/h1-8H,9H2,(H,18,22)(H,20,21)
InChIKey	PBPNFBYQCPMFHI-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_5826
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/18217300; Labnumber: OBK-8307