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

SpectraBase Compound ID	3r6ECx2EQv1
InChI	InChI=1S/C15H17N3O5S/c1-8-16-15(18-17-8)24-12(14(19)20)7-9-5-10(21-2)13(23-4)11(6-9)22-3/h5-7H,1-4H3,(H,19,20)(H,16,17,18)/b12-7+
InChIKey	QUGQBWRIIPLVNZ-KPKJPENVSA-N Google Search
Mol Weight	351.38 g/mol
Molecular Formula	C15H17N3O5S
Exact Mass	351.088892 g/mol

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SpectraBase Spectrum ID	88JQwUHSrCj
Name	(2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(3,4,5-trimethoxyphenyl)-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/C15H17N3O5S/c1-8-16-15(18-17-8)24-12(14(19)20)7-9-5-10(21-2)13(23-4)11(6-9)22-3/h5-7H,1-4H3,(H,19,20)(H,16,17,18)/b12-7+
InChIKey	QUGQBWRIIPLVNZ-KPKJPENVSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29064
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: D90912; Labnumber: SPDEM5-39546; SBI_ID: SBI-029068
Synonyms	2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid
Temperature	308 °C