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1-Cyano-3-methyl-1,3-cyclohexadiene

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1-Cyano-3-methyl-1,3-cyclohexadiene
SpectraBase Compound ID E51Lr5a62pM
InChI InChI=1S/C8H9N/c1-7-3-2-4-8(5-7)6-9/h3,5H,2,4H2,1H3
InChIKey GTAFYYTVTGEIDA-UHFFFAOYSA-N
Mol Weight 119.17 g/mol
Molecular Formula C8H9N
Exact Mass 119.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BopzkSWpmah
Name 1-CYANO-3-METHYL-1,3-CYCLOHEXADIENE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N
InChI InChI=1S/C8H9N/c1-7-3-2-4-8(5-7)6-9/h3,5H,2,4H2,1H3
InChIKey GTAFYYTVTGEIDA-UHFFFAOYSA-N
Literature Reference Author J.L.BOUCHER,L.STELLA
Literature Reference Citation TETRAHEDRON,42,3871(1986)
Literature Reference DOI 10.1016/S0040-4020(01)87541-4
Molecular Weight 119.166 g/mol
Solvent CDCl3
Source File Reference UWGB18