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

SpectraBase Compound ID	HVgOUfVjDOf
InChI	InChI=1S/C15H9ClFN3O2S/c16-12-6-5-10(7-11(12)14(21)22)20-13(18-19-15(20)23)8-1-3-9(17)4-2-8/h1-7H,(H,19,23)(H,21,22)
InChIKey	NZLCZMGTDPEMAW-UHFFFAOYSA-N Google Search
Mol Weight	349.77 g/mol
Molecular Formula	C15H9ClFN3O2S
Exact Mass	349.008804 g/mol

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SpectraBase Spectrum ID	E4QGGQau1In
Name	benzoic acid, 2-chloro-5-[3-(4-fluorophenyl)-5-mercapto-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/C15H9ClFN3O2S/c16-12-6-5-10(7-11(12)14(21)22)20-13(18-19-15(20)23)8-1-3-9(17)4-2-8/h1-7H,(H,19,23)(H,21,22)
InChIKey	NZLCZMGTDPEMAW-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_295
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: F03899; Labnumber: NNOBK-8298
Temperature	308 °C