4-((E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

SpectraBase Compound ID	XlqxNEsztn
InChI	InChI=1S/C10H7F3N4OS/c11-10(12,13)8-15-16-9(19)17(8)14-5-6-1-3-7(18)4-2-6/h1-5,18H,(H,16,19)/b14-5+
InChIKey	XAJFSXCDNPQGHJ-LHHJGKSTSA-N Google Search
Mol Weight	288.25 g/mol
Molecular Formula	C10H7F3N4OS
Exact Mass	288.029267 g/mol

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SpectraBase Spectrum ID	7Tq1va7vDrr
Name	4-((E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C10H7F3N4OS/c11-10(12,13)8-15-16-9(19)17(8)14-5-6-1-3-7(18)4-2-6/h1-5,18H,(H,16,19)/b14-5+
InChIKey	XAJFSXCDNPQGHJ-LHHJGKSTSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5623
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/11221966; Labnumber: 0944; IOH_ID: IOH-005624
Synonyms	4-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol