Isothiazole-4-carboxylic acid, 3-[2-(3,4,5-trimethoxyphenyl)ethyl]-, methyl ester

SpectraBase Compound ID	7ZIZEotCohb
InChI	InChI=1S/C16H19NO5S/c1-19-13-7-10(8-14(20-2)15(13)21-3)5-6-12-11(9-23-17-12)16(18)22-4/h7-9H,5-6H2,1-4H3
InChIKey	YDTATVGUCFTYOQ-UHFFFAOYSA-N Google Search
Mol Weight	337.39 g/mol
Molecular Formula	C16H19NO5S
Exact Mass	337.098394 g/mol

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SpectraBase Spectrum ID	J6xD9hlhQ5O
Name	methyl 3-[2-(3,4,5-trimethoxyphenyl)ethyl]-4-isothiazolecarboxylate
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/C16H19NO5S/c1-19-13-7-10(8-14(20-2)15(13)21-3)5-6-12-11(9-23-17-12)16(18)22-4/h7-9H,5-6H2,1-4H3
InChIKey	YDTATVGUCFTYOQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_18246
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: 987/00007011; Labnumber: 987/00007011218886; VK_ID: VK-018253
Temperature	305 °C