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

SpectraBase Compound ID	DILzvTR1jdJ
InChI	InChI=1S/C14H14ClN3O4S/c1-7-16-14(18-17-7)23-11(13(19)20)6-8-4-9(15)12(22-3)10(5-8)21-2/h4-6H,1-3H3,(H,19,20)(H,16,17,18)/b11-6+
InChIKey	BUSAXRDUZUMFLO-IZZDOVSWSA-N Google Search
Mol Weight	355.8 g/mol
Molecular Formula	C14H14ClN3O4S
Exact Mass	355.039355 g/mol

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SpectraBase Spectrum ID	4P4SHS42F5V
Name	(2E)-3-(3-chloro-4,5-dimethoxyphenyl)-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/C14H14ClN3O4S/c1-7-16-14(18-17-7)23-11(13(19)20)6-8-4-9(15)12(22-3)10(5-8)21-2/h4-6H,1-3H3,(H,19,20)(H,16,17,18)/b11-6+
InChIKey	BUSAXRDUZUMFLO-IZZDOVSWSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29063
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: D90911; Labnumber: SPDEM5-39513; SBI_ID: SBI-029067
Synonyms	3-(3-chloro-4,5-dimethoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propenoic acid
Temperature	308 °C