4H-1,2,4-triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-

SpectraBase Compound ID	3YrVGJyHs9X
InChI	InChI=1S/C17H14F3N3O3S/c1-24-13-8-3-10(9-14(13)25-2)15-21-22-16(27)23(15)11-4-6-12(7-5-11)26-17(18,19)20/h3-9H,1-2H3,(H,22,27)
InChIKey	CVURJRFLDMZRSM-UHFFFAOYSA-N Google Search
Mol Weight	397.37 g/mol
Molecular Formula	C17H14F3N3O3S
Exact Mass	397.070797 g/mol

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SpectraBase Spectrum ID	LseQwd5u3cT
Name	4H-1,2,4-triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-
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/C17H14F3N3O3S/c1-24-13-8-3-10(9-14(13)25-2)15-21-22-16(27)23(15)11-4-6-12(7-5-11)26-17(18,19)20/h3-9H,1-2H3,(H,22,27)
InChIKey	CVURJRFLDMZRSM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_6980
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: NMR/18277197; Labnumber: OBK-8561