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2-[2-[3-(dicyanomethylene)-5,5-dimethyl-1-cyclohexenyl]-1-(methylthio)ethylidene]malononitrile
SpectraBase Compound ID 3x1Z6OaZVgB
InChI InChI=1S/C17H16N4S/c1-17(2)6-12(4-13(7-17)14(8-18)9-19)5-16(22-3)15(10-20)11-21/h4H,5-7H2,1-3H3
InChIKey PBWBEPXEUAHWEE-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C17H16N4S
Exact Mass 308.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYhuUgVTSJl
Name 2-[2-[3-(dicyanomethylene)-5,5-dimethyl-1-cyclohexenyl]-1-(methylthio)ethylidene]malononitrile
Compound Number 10A
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Formula C17H16N4S
InChI InChI=1S/C17H16N4S/c1-17(2)6-12(4-13(7-17)14(8-18)9-19)5-16(22-3)15(10-20)11-21/h4H,5-7H2,1-3H3
InChIKey PBWBEPXEUAHWEE-UHFFFAOYSA-N
Literature Reference Author E.KLEINPETER,M.HEYDENREICH,J.WOLLER,G.WOLF,A.KOCH,G.KEMPTER, K.PIHLAJA
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1877(1998)
Literature Reference DOI 10.1039/a803732i
Molecular Weight 308.401 g/mol
Solvent CDCl3