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

SpectraBase Compound ID	5hLV4jaGw6K
InChI	InChI=1S/C14H11N5O2S/c20-13(21)10-3-1-2-9(6-10)8-19-12(17-18-14(19)22)11-7-15-4-5-16-11/h1-7H,8H2,(H,18,22)(H,20,21)
InChIKey	HGNBNVIBCAJRFJ-UHFFFAOYSA-N Google Search
Mol Weight	313.33 g/mol
Molecular Formula	C14H11N5O2S
Exact Mass	313.063346 g/mol

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SpectraBase Spectrum ID	5tvCeuPVclz
Name	benzoic acid, 3-[(3-mercapto-5-pyrazinyl-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/C14H11N5O2S/c20-13(21)10-3-1-2-9(6-10)8-19-12(17-18-14(19)22)11-7-15-4-5-16-11/h1-7H,8H2,(H,18,22)(H,20,21)
InChIKey	HGNBNVIBCAJRFJ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_10813
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: F38428; Labnumber: NNOBK-11421
Temperature	315 °C