(2E)-3-(5-bromo-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid

SpectraBase Compound ID	ECTYOYHXSfJ
InChI	InChI=1S/C13H12BrN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-5-9(14)3-4-10(8)20-2/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6+
InChIKey	XHXWWQMJGIUOCU-IZZDOVSWSA-N Google Search
Mol Weight	370.22 g/mol
Molecular Formula	C13H12BrN3O3S
Exact Mass	368.978275 g/mol

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SpectraBase Spectrum ID	DLC1QpbkTQF
Name	(2E)-3-(5-bromo-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid
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/C13H12BrN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-5-9(14)3-4-10(8)20-2/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6+
InChIKey	XHXWWQMJGIUOCU-IZZDOVSWSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29061
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: D90904; Labnumber: SPDEM5-39363; SBI_ID: SBI-029065
Synonyms	3-(5-bromo-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid
Temperature	308 °C