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

SpectraBase Compound ID	HWsgMe26x5Y
InChI	InChI=1S/C15H13N3O2S2/c19-14(20)11-4-1-3-10(7-11)9-18-13(16-17-15(18)21)8-12-5-2-6-22-12/h1-7H,8-9H2,(H,17,21)(H,19,20)
InChIKey	KOUFEQIZKNQCJL-UHFFFAOYSA-N Google Search
Mol Weight	331.41 g/mol
Molecular Formula	C15H13N3O2S2
Exact Mass	331.044919 g/mol

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SpectraBase Spectrum ID	GwXr0B0aeKg
Name	benzoic acid, 3-[[3-mercapto-5-(2-thienylmethyl)-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/C15H13N3O2S2/c19-14(20)11-4-1-3-10(7-11)9-18-13(16-17-15(18)21)8-12-5-2-6-22-12/h1-7H,8-9H2,(H,17,21)(H,19,20)
InChIKey	KOUFEQIZKNQCJL-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_10814
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: F38429; Labnumber: NNOBK-11426
Temperature	315 °C