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Ethyl 2-benzoyl-5-oxo-3,5-diphenylpentanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ethyl 2-benzoyl-5-oxo-3,5-diphenylpentanoate
SpectraBase Compound ID D7dzHKYVVf
InChI InChI=1S/C26H24O4/c1-2-30-26(29)24(25(28)21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)18-23(27)20-14-8-4-9-15-20/h3-17,22,24H,2,18H2,1H3
InChIKey BJMRLLPRPWBQCI-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C26H24O4
Exact Mass 400.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fvr3nUARWzT
Name Ethyl 2-benzoyl-5-oxo-3,5-diphenylpentanoate
Comments Computed using HOSE algorithm
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Exact Mass 400.167459249 u
Formula C26H24O4
InChI InChI=1S/C26H24O4/c1-2-30-26(29)24(25(28)21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)18-23(27)20-14-8-4-9-15-20/h3-17,22,24H,2,18H2,1H3
InChIKey BJMRLLPRPWBQCI-UHFFFAOYSA-N
Molecular Weight 400.474 g/mol
SMILES C(C(CC(=O)C1=CC=CC=C1)C=1C=CC=CC1)(C(=O)C1=CC=CC=C1)C(=O)OCC