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

SpectraBase Compound ID	HQYticu0OxG
InChI	InChI=1S/C12H11F3N4O2S/c1-2-21-9-5-7(3-4-8(9)20)6-16-19-10(12(13,14)15)17-18-11(19)22/h3-6,20H,2H2,1H3,(H,18,22)/b16-6+
InChIKey	XDQHVQRTGOYWNW-OMCISZLKSA-N Google Search
Mol Weight	332.3 g/mol
Molecular Formula	C12H11F3N4O2S
Exact Mass	332.055481 g/mol

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SpectraBase Spectrum ID	5wwa6NfCWT7
Name	2-ethoxy-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/C12H11F3N4O2S/c1-2-21-9-5-7(3-4-8(9)20)6-16-19-10(12(13,14)15)17-18-11(19)22/h3-6,20H,2H2,1H3,(H,18,22)/b16-6+
InChIKey	XDQHVQRTGOYWNW-OMCISZLKSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5624
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/11221967; Labnumber: 0945; IOH_ID: IOH-005625
Synonyms	2-ethoxy-4-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol