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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXYYJOplt4k
Name 2-Cyclohexene-1-carboxylic acid, 1-(4-methoxyphenyl)-3-methyl-4-oxo-, ethyl ester
Alternate Name(s) ethyl 1-(4-methoxyphenyl)-3-methyl-4-oxo-2-cyclohexene-1-carboxylate Ethyl(1-p-methoxyphenyl)-3-methyl-4-oxocyclohex-2-enecarboxylate
CAS Registry Number 116059-82-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 288.343 g/mol
SMILES C1(C=C(C)C(CC1)=O)(C(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-014i-0090000000-54f53e6dd2d5040464c8
Source of Spectrum KC-1987-2693-17
Wiley ID 1291830