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

*Links on SpectraBase are not permalinks.
(E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-keto-ethyl)-1-cyclopentenyl]-3-(methylthio)acrylic acid ethyl ester
SpectraBase Compound ID Cs4jS12PYDK
InChI InChI=1S/C17H20N2O4S/c1-4-22-16(20)13(9-18)11-7-6-8-12(11)15(24-3)14(10-19)17(21)23-5-2/h13H,4-8H2,1-3H3/b15-14+
InChIKey UPULMROWWQZBDG-CCEZHUSRSA-N
Mol Weight 348.42 g/mol
Molecular Formula C17H20N2O4S
Exact Mass 348.114378 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 AAYwA6D871z
Name (E)-2-cyano-3-[2-(1-cyano-2-ethoxy-2-keto-ethyl)-1-cyclopentenyl]-3-(methylthio)acrylic acid ethyl ester
Compound Number 9,N=1,ENDO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N2O4S
InChI InChI=1S/C17H20N2O4S/c1-4-22-16(20)13(9-18)11-7-6-8-12(11)15(24-3)14(10-19)17(21)23-5-2/h13H,4-8H2,1-3H3/b15-14+
InChIKey UPULMROWWQZBDG-CCEZHUSRSA-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 348.417 g/mol
Solvent CDCl3
Source File Reference UWRU10141