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1-Ethyl-5-methylbicyclo[3.3.0]octa-2,6-diene-2,6-dicarbonitrile

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1-Ethyl-5-methylbicyclo[3.3.0]octa-2,6-diene-2,6-dicarbonitrile
SpectraBase Compound ID CSskDKPi1hB
InChI InChI=1S/C13H14N2/c1-3-13-7-5-10(8-14)12(13,2)6-4-11(13)9-15/h4-5H,3,6-7H2,1-2H3/t12-,13-/m0/s1
InChIKey IVXMTCKMBBILOG-STQMWFEESA-N
Mol Weight 198.27 g/mol
Molecular Formula C13H14N2
Exact Mass 198.115698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WG3B2PYPau
Name 1-ETHYL-5-METHYLBICYCLO-[3.3.0]-OCTA-2,6-DIENE-2,6-DICARBONITRILE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2
InChI InChI=1S/C13H14N2/c1-3-13-7-5-10(8-14)12(13,2)6-4-11(13)9-15/h4-5H,3,6-7H2,1-2H3/t12-,13-/m0/s1
InChIKey IVXMTCKMBBILOG-STQMWFEESA-N
Literature Reference Author M.HEUBES,T.DIETZ,H.QUAST,M.SEEFELDER,A.WITZEL,V.R.GADGIL,R.V .WILLIAMS
Literature Reference Citation J.ORG.CHEM.,66,1949(2001)
Literature Reference DOI 10.1021/jo001062a
Molecular Weight 198.268 g/mol
Solvent CDCl3
Source File Reference UWLU26179