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1-ETHOXYCARBONYL-4-OXO-2-CYCLOHEXEN-1-ESSIGSAEUREETHYLESTER

View entire compound with spectra: 5 NMR

1-ETHOXYCARBONYL-4-OXO-2-CYCLOHEXEN-1-ESSIGSAEUREETHYLESTER
SpectraBase Compound ID GDiGw3oqbkX
InChI InChI=1S/C13H18O5/c1-3-17-11(15)9-13(12(16)18-4-2)7-5-10(14)6-8-13/h5,7H,3-4,6,8-9H2,1-2H3
InChIKey YNLLBPRDAVVPQM-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xPD2pKyl2B
Name 1-Ethoxycarbonyl-4-oxo-2-cyclohexene-1-acetic acid, ethyl ester
CAS Registry Number 67927-57-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-3-17-11(15)9-13(12(16)18-4-2)7-5-10(14)6-8-13/h5,7H,3-4,6,8-9H2,1-2H3
InChIKey YNLLBPRDAVVPQM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference W. Gramlich, Liebigs Ann. Chem. 121 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3