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3-ethyl-5-hydroxy-2-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate
SpectraBase Compound ID BotAhpDQxW7
InChI InChI=1S/C10H11NOS.C7H8O3S/c1-3-11-7(2)13-10-5-4-8(12)6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey FIVRPYMPJUKHAI-UHFFFAOYSA-N
Mol Weight 365.46 g/mol
Molecular Formula C17H19NO4S2
Exact Mass 365.07555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AKX95Z302Px
Name 3-ethyl-5-hydroxy-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/C10H11NOS.C7H8O3S/c1-3-11-7(2)13-10-5-4-8(12)6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey FIVRPYMPJUKHAI-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14831
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: 987/00000777; Labnumber: 987/00000777218808; VK_ID: VK-014836
Temperature 308 °C