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1,5-Diphenyl-3-(p-methylphenyl)-1,5-pentanedione
SpectraBase Compound ID 2sVCL46C9fJ
InChI InChI=1S/C24H22O2/c1-18-12-14-19(15-13-18)22(16-23(25)20-8-4-2-5-9-20)17-24(26)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKey UCOIOTCKMJTUDC-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C24H22O2
Exact Mass 342.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94XEJeu5oil
Name 1,5-Diphenyl-3-(p-methylphenyl)-1,5-pentanedione
Comments Computed using HOSE algorithm
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Exact Mass 342.161979946 u
Formula C24H22O2
InChI InChI=1S/C24H22O2/c1-18-12-14-19(15-13-18)22(16-23(25)20-8-4-2-5-9-20)17-24(26)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKey UCOIOTCKMJTUDC-UHFFFAOYSA-N
Molecular Weight 342.438 g/mol
SMILES C(CC(CC(=O)C1=CC=CC=C1)C=1C=CC(=CC1)C)(=O)C=1C=CC=CC1