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(E)-Acrylic acid, 3-(3-methoxycarbonyl-1-cyclohexen-5-yl)-, methyl ester
SpectraBase Compound ID CXIQOPKCXYo
InChI InChI=1S/C12H16O4/c1-15-11(13)7-6-9-4-3-5-10(8-9)12(14)16-2/h3,5-7,9-10H,4,8H2,1-2H3/b7-6+
InChIKey IJIJIUQPEGZLMK-VOTSOKGWSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55skWlwREZD
Name (E)-Acrylic acid, 3-(3-methoxycarbonyl-1-cyclohexen-5-yl)-, methyl ester
Alternate Name(s) 5-[(E)-3-keto-3-methoxy-prop-1-enyl]cyclohex-2-ene-1-carboxylic acid methyl ester 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-cyclohex-2-enecarboxylic acid methyl ester Methyl 5-[(1E)-3-methoxy-3-oxo-1-propenyl]-2-cyclohexene-1-carboxylate Methyl 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]cyclohex-2-ene-1-carboxylate Methyl 5-[(E)-3-methoxy-3-oxo-prop-1-enyl]cyclohex-2-ene-1-carboxylate
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)7-6-9-4-3-5-10(8-9)12(14)16-2/h3,5-7,9-10H,4,8H2,1-2H3/b7-6+
InChIKey IJIJIUQPEGZLMK-VOTSOKGWSA-N
Molecular Weight 224.256 g/mol
SMILES C(=O)(\C=C\C1CC(C(OC)=O)C=CC1)OC
SPLASH splash10-053r-7900000000-8b81ab6b9e8775e3d140
Wiley ID 1497648