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2-Cyclohexene-1-carboxylic acid, 3-ethyl-1-(4-methoxyphenyl)-2-methyl-4-oxo-, ethyl ester
SpectraBase Compound ID JtSXavZKgfJ
InChI InChI=1S/C19H24O4/c1-5-16-13(3)19(12-11-17(16)20,18(21)23-6-2)14-7-9-15(22-4)10-8-14/h7-10H,5-6,11-12H2,1-4H3
InChIKey WABWCSHJELLKJX-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBpqnKuqqJR
Name 2-Cyclohexene-1-carboxylic acid, 3-ethyl-1-(4-methoxyphenyl)-2-methyl-4-oxo-, ethyl ester
CAS Registry Number 116059-81-5
Comments Less than 3 mono-isotopic peaks
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Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-5-16-13(3)19(12-11-17(16)20,18(21)23-6-2)14-7-9-15(22-4)10-8-14/h7-10H,5-6,11-12H2,1-4H3
InChIKey WABWCSHJELLKJX-UHFFFAOYSA-N
Molecular Weight 316.397 g/mol
SMILES C=1(C(C(=O)OCC)(CCC(C1CC)=O)c1ccc(cc1)OC)C
SPLASH splash10-0006-0092000000-922f7ebca77eafc3038e
Source of Spectrum KC-1987-2693-15
Synonyms ethyl 3-ethyl-1-(4-methoxyphenyl)-2-methyl-4-oxo-2-cyclohexene-1-carboxylate Ethyl 3-ethyl-1-(p-methoxyphenyl)-2-methyl-4-oxocyclohex-2-enecarboxylate
Wiley ID 1316920