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1-METHYL-4-OXO-2-CYCLOHEXEN-1-CARBONSAEURE-ETHYLESTER

View entire compound with spectra: 6 NMR, and 2 MS (GC)

1-METHYL-4-OXO-2-CYCLOHEXEN-1-CARBONSAEURE-ETHYLESTER
SpectraBase Compound ID 1fBBS3so3oy
InChI InChI=1S/C10H14O3/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h4,6H,3,5,7H2,1-2H3
InChIKey CKDSTNLSYQLPRF-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAgpjUiCPUX
Name 1-Methyl-4-oxo-2-cyclohexene-1-carboxylic acid, ethyl ester
CAS Registry Number 1489-55-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h4,6H,3,5,7H2,1-2H3
InChIKey CKDSTNLSYQLPRF-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