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methyl (Z)-2-cyano-4-[3-(dicyanomethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-methylsulfanylbut-2-enoate
SpectraBase Compound ID 6Mvs0Ntfu84
InChI InChI=1S/C18H19N3O2S/c1-18(2)7-12(5-13(8-18)14(9-19)10-20)6-16(24-4)15(11-21)17(22)23-3/h5H,6-8H2,1-4H3/b16-15-
InChIKey WNFPYJQHTHMSGC-NXVVXOECSA-N
Mol Weight 341.43 g/mol
Molecular Formula C18H19N3O2S
Exact Mass 341.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYdBgVpKrjK
Name methyl (Z)-2-cyano-4-[3-(dicyanomethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-methylsulfanylbut-2-enoate
Compound Number 10B
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Formula C18H19N3O2S
InChI InChI=1S/C18H19N3O2S/c1-18(2)7-12(5-13(8-18)14(9-19)10-20)6-16(24-4)15(11-21)17(22)23-3/h5H,6-8H2,1-4H3/b16-15-
InChIKey WNFPYJQHTHMSGC-NXVVXOECSA-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 341.428 g/mol
Solvent CDCl3