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2-Cyano-cis-3a,4,5,6,7,7a-hexahydro-benzothiazole
SpectraBase Compound ID Cq6uP1OWWXZ
InChI InChI=1S/C8H10N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h6-7H,1-4H2
InChIKey HZCOSBMCVVRYMK-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C8H10N2S
Exact Mass 166.05647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6qv8Htrvg
Name 2-Cyano-cis-3a,4,5,6,7,7a-hexahydro-benzothiazole
CAS Registry Number 77469-22-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H10N2S
InChI InChI=1S/C8H10N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h6-7H,1-4H2
InChIKey HZCOSBMCVVRYMK-UHFFFAOYSA-N
Literature Reference R.C. Cambie, D. Chambers, P.S. Rutledge, J. Chem. Soc. Perkin I 40 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported