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(2E)-5-oxo-2-(phenylmethylene)hexanoic acid ethyl ester
SpectraBase Compound ID 8uW7xXpAzFy
InChI InChI=1S/C15H18O3/c1-3-18-15(17)14(10-9-12(2)16)11-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3/b14-11+
InChIKey ILMZHSOHJBRUAX-SDNWHVSQSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrGddqpRiaB
Name (2E)-5-oxo-2-(phenylmethylene)hexanoic acid ethyl ester
Alternate Name(s) (E)-2-(3-ketobutyl)-3-phenyl-acrylic acid ethyl ester Ethyl (2E)-2-benzylidene-5-oxo-hexanoate Ethyl (2E)-5-oxidanylidene-2-(phenylmethylidene)hexanoate
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-18-15(17)14(10-9-12(2)16)11-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3/b14-11+
InChIKey ILMZHSOHJBRUAX-SDNWHVSQSA-N
Molecular Weight 246.306 g/mol
SMILES C(\C(=C\c1ccccc1)CCC(=O)C)(=O)OCC
SPLASH splash10-0kxu-2930000000-6cc30e935701c811d3a8
Source of Spectrum QC-24-513-4
Wiley ID 1584129