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1-(2,4,6-Triphenyl-phenyl)-3-phenyl-propan-1,3-dione
SpectraBase Compound ID 8hDwlBDTa1t
InChI InChI=1S/C33H24O2/c34-31(27-19-11-4-12-20-27)23-32(35)33-29(25-15-7-2-8-16-25)21-28(24-13-5-1-6-14-24)22-30(33)26-17-9-3-10-18-26/h1-23,34H/b31-23-
InChIKey KZOQUONZWZYYMW-SXBRIOAWSA-N
Mol Weight 452.6 g/mol
Molecular Formula C33H24O2
Exact Mass 452.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXT3hLttAXS
Name 1-(2,4,6-Triphenyl-phenyl)-3-phenyl-propan-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 452.177630011 u
Formula C33H24O2
InChI InChI=1S/C33H24O2/c34-31(27-19-11-4-12-20-27)23-32(35)33-29(25-15-7-2-8-16-25)21-28(24-13-5-1-6-14-24)22-30(33)26-17-9-3-10-18-26/h1-23,34H/b31-23-
InChIKey KZOQUONZWZYYMW-SXBRIOAWSA-N
Molecular Weight 452.553 g/mol
SMILES C1=C(C2=CC=CC=C2)C=C(C2=CC=CC=C2)C(=C1C1=CC=CC=C1)C(=O)\C=C\(C=1C=CC=CC1)O