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3a,6,7,8,9,9a-Hexahydro-3a,5-dimethylthieno-[3,2-D]-[2]-benzothiophene-2,3-dicarbonitrile

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3a,6,7,8,9,9a-Hexahydro-3a,5-dimethylthieno-[3,2-D]-[2]-benzothiophene-2,3-dicarbonitrile
SpectraBase Compound ID CWlFqpiW7pa
InChI InChI=1S/C14H14N2S2/c1-9-10-5-3-4-6-14(10)13(2,17-9)11(7-15)12(8-16)18-14/h3-6H2,1-2H3
InChIKey HCOXASMNVZGHML-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C14H14N2S2
Exact Mass 274.059841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBLWz0kqcSq
Name 3a,6,7,8,9,9a-Hexahydro-3a,5-dimethylthieno-[3,2-D]-[2]-benzothiophene-2,3-dicarbonitrile
CAS Registry Number 80243-02-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H14N2S2
InChI InChI=1S/C14H14N2S2/c1-9-10-5-3-4-6-14(10)13(2,17-9)11(7-15)12(8-16)18-14/h3-6H2,1-2H3
InChIKey HCOXASMNVZGHML-UHFFFAOYSA-N
Literature Reference J. Org. Chem. 47, 977 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3