2-bromo-4-{(E)-[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol

SpectraBase Compound ID	9jH8eAMn3Mm
InChI	InChI=1S/C12H13BrN4O2S/c1-3-10-15-16-12(20)17(10)14-6-7-4-8(13)11(18)9(5-7)19-2/h4-6,18H,3H2,1-2H3,(H,16,20)/b14-6+
InChIKey	WIKVVSRVINTEHW-MKMNVTDBSA-N Google Search
Mol Weight	357.23 g/mol
Molecular Formula	C12H13BrN4O2S
Exact Mass	355.99426 g/mol

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SpectraBase Spectrum ID	EEWI4pZMAxg
Name	2-bromo-4-{(E)-[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol
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/C12H13BrN4O2S/c1-3-10-15-16-12(20)17(10)14-6-7-4-8(13)11(18)9(5-7)19-2/h4-6,18H,3H2,1-2H3,(H,16,20)/b14-6+
InChIKey	WIKVVSRVINTEHW-MKMNVTDBSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23837
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: D43744; Labnumber: SPABU-0161; SBI_ID: SBI-023841
Synonyms	2-bromo-4-{[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol
Temperature	308 °C