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1,2-Diphenyl-3-(p-methoxyphenyl)-5-p-tolyl-1,5-pentanedione
SpectraBase Compound ID 1qjnQG2asjJ
InChI InChI=1S/C31H28O3/c1-22-13-15-24(16-14-22)29(32)21-28(23-17-19-27(34-2)20-18-23)30(25-9-5-3-6-10-25)31(33)26-11-7-4-8-12-26/h3-20,28,30H,21H2,1-2H3
InChIKey YURKXYWOUDCVLQ-UHFFFAOYSA-N
Mol Weight 448.56 g/mol
Molecular Formula C31H28O3
Exact Mass 448.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8GSG1CdqBD
Name 1,2-Diphenyl-3-(p-methoxyphenyl)-5-p-tolyl-1,5-pentanedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.203844759 u
Formula C31H28O3
InChI InChI=1S/C31H28O3/c1-22-13-15-24(16-14-22)29(32)21-28(23-17-19-27(34-2)20-18-23)30(25-9-5-3-6-10-25)31(33)26-11-7-4-8-12-26/h3-20,28,30H,21H2,1-2H3
InChIKey YURKXYWOUDCVLQ-UHFFFAOYSA-N
Molecular Weight 448.562 g/mol
SMILES COC1=CC=C(C(CC(C=2C=CC(=CC2)C)=O)C(C(C=2C=CC=CC2)=O)C=2C=CC=CC2)C=C1