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2-mercapto-6-benzothiazolecarboxylic acid

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2-mercapto-6-benzothiazolecarboxylic acid
SpectraBase Compound ID Guuc6SMqFTI
InChI InChI=1S/C8H5NO2S2/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChIKey GJZGGNOKWQKDIY-UHFFFAOYSA-N
Mol Weight 211.25 g/mol
Molecular Formula C8H5NO2S2
Exact Mass 210.976171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJF1xY29UyA
Name 2-sulfanyl-1,3-benzothiazole-6-carboxylic acid
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/C8H5NO2S2/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChIKey GJZGGNOKWQKDIY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_134
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: ZI/8073989; Labnumber: ZEM-P000057; IOH_ID: IOH-000135
Temperature 303 °C