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2-Cyclohexene-1-carboxylic acid, 1-(4-methoxyphenyl)-3-methyl-4-oxo-, ethyl ester

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2-Cyclohexene-1-carboxylic acid, 1-(4-methoxyphenyl)-3-methyl-4-oxo-, ethyl ester
SpectraBase Compound ID EhtOICU1flZ
InChI InChI=1S/C17H20O4/c1-4-21-16(19)17(10-9-15(18)12(2)11-17)13-5-7-14(20-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3
InChIKey KPNJYTGCDHZZGH-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1X66aZ71LS
Name 1-(4-Methoxy-phenyl)-3-methyl-4-oxo-cyclohex-2-enecarboxylic acid, ethylester
CAS Registry Number 116059-82-6
Comments C14 AT 152.91 IS CHANGED TO 159.21 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-4-21-16(19)17(10-9-15(18)12(2)11-17)13-5-7-14(20-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3
InChIKey KPNJYTGCDHZZGH-UHFFFAOYSA-N
Literature Reference D.J. Ackland, J.T. Pinhey, J. Chem. Soc. Perkin I 2689 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3