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4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-butanesulfonate

View entire compound with spectra: 1 NMR

4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-butanesulfonate
SpectraBase Compound ID HYmVyCsJwAn
InChI InChI=1S/C12H15NO3S2/c1-9(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3
InChIKey IMJOWVNDQJOJND-UHFFFAOYSA-N
Mol Weight 285.38 g/mol
Molecular Formula C12H15NO3S2
Exact Mass 285.049336 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KAuyI5nyTuE
Name 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-butanesulfonate
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/C12H15NO3S2/c1-9(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3
InChIKey IMJOWVNDQJOJND-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1255
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: 700675TOKS-1140; Labnumber: 700675TOKS-1140; VK_ID: VK-001256
Temperature 308 °C