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5-Chloro-2-mercaptobenzothiazole

View entire compound with spectra: 3 NMR, 4 FTIR, 2 Raman, 3 UV-Vis, and 2 MS (GC)

5-Chloro-2-mercaptobenzothiazole
SpectraBase Compound ID D9tVtvVQk1l
InChI InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey NKYDKCVZNMNZCM-UHFFFAOYSA-N
Mol Weight 201.69 g/mol
Molecular Formula C7H4ClNS2
Exact Mass 200.947369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11UNadb6J0G
Name 5-Chloro-benzothiazol-2-thiol
CAS Registry Number 5331-91-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4ClNS2
InChI InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey NKYDKCVZNMNZCM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference R. Faure, J. Elguero, E.J. Vincent, Org. Magn. Resonance 11, 617 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6