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Ethyl (E)-2-benzylidene-4-oxo-4-phenylbutanoate
SpectraBase Compound ID LQM5BXef78l
InChI InChI=1S/C19H18O3/c1-2-22-19(21)17(13-15-9-5-3-6-10-15)14-18(20)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/b17-13+
InChIKey KDTJZRMRWIMQHR-GHRIWEEISA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J0FlQZsnoo
Name Ethyl (E)-2-benzylidene-4-oxo-4-phenylbutanoate
Appearance Yellow oil
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Exact Mass 294.125594437 u
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-2-22-19(21)17(13-15-9-5-3-6-10-15)14-18(20)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/b17-13+
InChIKey KDTJZRMRWIMQHR-GHRIWEEISA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Quality 93
Reported Formula C19H18O3
SMILES C=1C=CC=C(\C=C\(C(=O)OCC)CC(=O)C2=CC=CC=C2)C1
SPLASH splash10-0a4i-2900000000-3f29af1faf9b23d09fbc
Source of Spectrum QE-22-SM7-3ai (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.79 (SiO2, CH/EtOAc, 2:1)
Wiley ID 1903595