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(Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-keto-2-methoxy-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-keto-2-methoxy-ethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)but-2-enoic acid methyl ester
SpectraBase Compound ID FTKh9x4pMvn
InChI InChI=1S/C19H22N2O4S/c1-19(2)8-12(6-13(9-19)14(10-20)17(22)24-3)7-16(26-5)15(11-21)18(23)25-4/h6H,7-9H2,1-5H3/b14-13+,16-15-
InChIKey WHYHZTKLUPUBBH-MSBKQZQESA-N
Mol Weight 374.46 g/mol
Molecular Formula C19H22N2O4S
Exact Mass 374.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AddDRG05FPS
Name (Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-keto-2-methoxy-ethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)but-2-enoic acid methyl ester
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O4S
InChI InChI=1S/C19H22N2O4S/c1-19(2)8-12(6-13(9-19)14(10-20)17(22)24-3)7-16(26-5)15(11-21)18(23)25-4/h6H,7-9H2,1-5H3/b14-13+,16-15-
InChIKey WHYHZTKLUPUBBH-MSBKQZQESA-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 374.455 g/mol
Solvent CDCl3