2-[(1Z)-2-hydroxy-1-propenyl]-3-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate

SpectraBase Compound ID	8KzG6raxXg5
InChI	InChI=1S/C11H11NOS.C7H8O3S/c1-8(13)7-11-12(2)9-5-3-4-6-10(9)14-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey	LGKABYASJBGZGX-UHFFFAOYSA-N Google Search
Mol Weight	377.47 g/mol
Molecular Formula	C18H19NO4S2
Exact Mass	377.07555 g/mol

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SpectraBase Spectrum ID	A4b51EXj1nD
Name	2-[(1Z)-2-hydroxy-1-propenyl]-3-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate
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/C11H11NOS.C7H8O3S/c1-8(13)7-11-12(2)9-5-3-4-6-10(9)14-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey	LGKABYASJBGZGX-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_15482
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: 987/00002086; Labnumber: 987/00002086218824; VK_ID: VK-015487
Synonyms	2-[2-hydroxy-1-propenyl]-3-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate
Temperature	308 °C