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(Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-keto-ethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)but-2-enoic acid methyl ester

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(Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-keto-ethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)but-2-enoic acid methyl ester
SpectraBase Compound ID 8fV52BI8ayp
InChI InChI=1S/C20H24N2O4S/c1-6-26-19(24)15(11-21)14-7-13(9-20(2,3)10-14)8-17(27-5)16(12-22)18(23)25-4/h7H,6,8-10H2,1-5H3/b15-14+,17-16-
InChIKey JUHDLVNPKDPQBV-FZIQOSRTSA-N
Mol Weight 388.48 g/mol
Molecular Formula C20H24N2O4S
Exact Mass 388.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITnJDoNLkii
Name (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-keto-ethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)but-2-enoic acid methyl ester
Compound Number 10F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24N2O4S
InChI InChI=1S/C20H24N2O4S/c1-6-26-19(24)15(11-21)14-7-13(9-20(2,3)10-14)8-17(27-5)16(12-22)18(23)25-4/h7H,6,8-10H2,1-5H3/b15-14+,17-16-
InChIKey JUHDLVNPKDPQBV-FZIQOSRTSA-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 388.482 g/mol
Solvent CDCl3