4-(4,5-Diphenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzoic acid

SpectraBase Compound ID	1pBpPoEqba0
InChI	InChI=1S/C22H17N3O2S/c26-21(27)18-13-11-16(12-14-18)15-28-22-24-23-20(17-7-3-1-4-8-17)25(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,26,27)
InChIKey	DOHGOFAURHEKQT-UHFFFAOYSA-N Google Search
Mol Weight	387.46 g/mol
Molecular Formula	C22H17N3O2S
Exact Mass	387.104148 g/mol

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SpectraBase Spectrum ID	5zpDP4xXiei
Name	benzoic acid, 4-[[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	387.104147971 u
Formula	C22H17N3O2S
InChI	InChI=1S/C22H17N3O2S/c26-21(27)18-13-11-16(12-14-18)15-28-22-24-23-20(17-7-3-1-4-8-17)25(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,26,27)
InChIKey	DOHGOFAURHEKQT-UHFFFAOYSA-N
Molecular Weight	387.457 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14180
Solvent	DMSO-d6
Source	Vendor ID: NMR/10300201; Lab Info: LP; Lab Number: LP-2171042