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Benzothiazole-2-thiol
SpectraBase Compound ID 3Bpc1YCaLMM
InChI InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
Mol Weight 167.24 g/mol
Molecular Formula C7H5NS2
Exact Mass 166.986342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TC8bfAGPr7
Name YXIWHUQXZSMYRE-UHFFFAOYSA-N
CAS Registry Number 149-30-4
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5NS2
InChI InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
Literature Reference Author J.R.BARTELS-KEITH,M.T.BURGESS,J.M.STEVENSON
Literature Reference Citation J.ORG.CHEM.,42,3725(1977)
Literature Reference DOI 10.1021/jo00443a020
Molecular Weight 167.243 g/mol
Solvent DMSO-D6
Source File Reference UWCS13360