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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 HpaWy6oIM7D
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 © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 Author R.H.HALL,H.J.DEN-HERTOG,D.N.REINHOUDT,S.HARKEMA,G.J.VAN-HUMM EL,J.W.H.M.UITERWIJK
Literature Reference Citation J.ORG.CHEM.,47,977(1982)
Literature Reference DOI 10.1021/jo00345a016
Molecular Weight 274.399 g/mol
Solvent CDCl3
Source File Reference UNIW22400