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

SpectraBase Compound ID	HxexT9nhBO6
InChI	InChI=1S/C13H8ClN3O2S2/c14-9-4-3-7(6-8(9)12(18)19)17-11(15-16-13(17)20)10-2-1-5-21-10/h1-6H,(H,16,20)(H,18,19)
InChIKey	AUGWILIBUFHYRM-UHFFFAOYSA-N Google Search
Mol Weight	337.8 g/mol
Molecular Formula	C13H8ClN3O2S2
Exact Mass	336.974647 g/mol

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SpectraBase Spectrum ID	JuAb4VfGblw
Name	benzoic acid, 2-chloro-5-[3-mercapto-5-(2-thienyl)-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/C13H8ClN3O2S2/c14-9-4-3-7(6-8(9)12(18)19)17-11(15-16-13(17)20)10-2-1-5-21-10/h1-6H,(H,16,20)(H,18,19)
InChIKey	AUGWILIBUFHYRM-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_291
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: F03895; Labnumber: NNOBK-8293
Temperature	308 °C