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

SpectraBase Compound ID	J1Pl8GofMbL
InChI	InChI=1S/C16H11F2N3O2S/c17-11-4-5-13(18)12(7-11)14-19-20-16(24)21(14)8-9-2-1-3-10(6-9)15(22)23/h1-7H,8H2,(H,20,24)(H,22,23)
InChIKey	JTVKLSJQHDQPDV-UHFFFAOYSA-N Google Search
Mol Weight	347.34 g/mol
Molecular Formula	C16H11F2N3O2S
Exact Mass	347.054004 g/mol

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SpectraBase Spectrum ID	4jc7AnK4EFB
Name	benzoic acid, 3-[[3-(2,5-difluorophenyl)-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/C16H11F2N3O2S/c17-11-4-5-13(18)12(7-11)14-19-20-16(24)21(14)8-9-2-1-3-10(6-9)15(22)23/h1-7H,8H2,(H,20,24)(H,22,23)
InChIKey	JTVKLSJQHDQPDV-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_10817
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: F38433; Labnumber: NNOBK-11435
Temperature	315 °C