6-acetamido-3-ethyl-2-methylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate

SpectraBase Compound ID	5ZD9Im06U6F
InChI	InChI=1S/C12H14N2OS.C7H8O3S/c1-4-14-9(3)16-12-7-10(13-8(2)15)5-6-11(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey	SHXYIKDDYMVTTO-UHFFFAOYSA-N Google Search
Mol Weight	406.51 g/mol
Molecular Formula	C19H22N2O4S2
Exact Mass	406.1021 g/mol

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SpectraBase Spectrum ID	JJ2p5ePxvLT
Name	6-(acetylamino)-3-ethyl-2-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/C12H14N2OS.C7H8O3S/c1-4-14-9(3)16-12-7-10(13-8(2)15)5-6-11(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey	SHXYIKDDYMVTTO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_10682
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: 135560; Labnumber: TOKS-1962; VK_ID: VK-010686
Temperature	318 °C