For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

(Z)-2-cyano-4-[(3Z)-3-(1-cyano-2-ethoxy-2-keto-ethylidene)-5,5-dimethyl-1-cyclohexenyl]-3-(methylthio)but-2-enoic acid ethyl ester
SpectraBase Compound ID Ek7Xm4QS7h6
InChI InChI=1S/C21H26N2O4S/c1-6-26-19(24)16(12-22)15-8-14(10-21(3,4)11-15)9-18(28-5)17(13-23)20(25)27-7-2/h8H,6-7,9-11H2,1-5H3/b16-15+,18-17-
InChIKey VFZKBOVLFBSCIU-FQASWMIKSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FKyu2xnbYbi
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 ethyl ester
Compound Number 10G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O4S
InChI InChI=1S/C21H26N2O4S/c1-6-26-19(24)16(12-22)15-8-14(10-21(3,4)11-15)9-18(28-5)17(13-23)20(25)27-7-2/h8H,6-7,9-11H2,1-5H3/b16-15+,18-17-
InChIKey VFZKBOVLFBSCIU-FQASWMIKSA-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 402.508 g/mol
Solvent CDCl3