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Ethyl 2-benzoyl-5-oxo-3-phenylhexanoate isomer
SpectraBase Compound ID JG2eilUpqbz
InChI InChI=1S/C21H22O4/c1-3-25-21(24)19(20(23)17-12-8-5-9-13-17)18(14-15(2)22)16-10-6-4-7-11-16/h4-13,18-19H,3,14H2,1-2H3
InChIKey QEQIPAVOHCBIFX-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lkfqx6KKMgj
Name Ethyl 2-benzoyl-5-oxo-3-phenylhexanoate isomer
Alternate Name(s) Ethyl 2-benzoyl-5-oxo-3-phenylhexanoate
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-3-25-21(24)19(20(23)17-12-8-5-9-13-17)18(14-15(2)22)16-10-6-4-7-11-16/h4-13,18-19H,3,14H2,1-2H3
InChIKey QEQIPAVOHCBIFX-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES C(C(CC(=O)C)c1ccccc1)(C(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-0a4s-0930000000-65a9b2f0d727a2eaa7b6
Source of Spectrum KC-0-3148-3
Wiley ID 823656