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UUVDQMYRPUHXPB-UHFFFAOYSA-N
SpectraBase Compound ID 3Jh7gLc7FGc
InChI InChI=1S/C8H5NO2S/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H,10,11)
InChIKey UUVDQMYRPUHXPB-UHFFFAOYSA-N
Mol Weight 179.19 g/mol
Molecular Formula C8H5NO2S
Exact Mass 179.0041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GikWw2v3hah
Name Benzothiazole-2-carboxylic acid
CAS Registry Number 3622-04-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5NO2S
InChI InChI=1S/C8H5NO2S/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H,10,11)
InChIKey UUVDQMYRPUHXPB-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference S.N. Sawhney, D.W. Boykin, J. Org. Chem. 44, 1136 (1979).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6