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3-(carboxymethyl)-2-methyl-1,3-benzothiazol-3-ium bromide

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3-(carboxymethyl)-2-methyl-1,3-benzothiazol-3-ium bromide
SpectraBase Compound ID 5PTyiQfxeMD
InChI InChI=1S/C10H9NO2S.BrH/c1-7-11(6-10(12)13)8-4-2-3-5-9(8)14-7;/h2-5H,6H2,1H3;1H
InChIKey NOFDPRUYWCIJRV-UHFFFAOYSA-N
Mol Weight 288.16 g/mol
Molecular Formula C10H10BrNO2S
Exact Mass 286.961563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cvk8pEXvCmP
Name 3-(carboxymethyl)-2-methyl-1,3-benzothiazol-3-ium bromide
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/C10H9NO2S.BrH/c1-7-11(6-10(12)13)8-4-2-3-5-9(8)14-7;/h2-5H,6H2,1H3;1H
InChIKey NOFDPRUYWCIJRV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10680
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: 135558; Labnumber: TOKS-1957; VK_ID: VK-010684
Temperature 318 °C