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1,2,4,5-Tetraphenyl-2-pentene-1,5-dione

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

1,2,4,5-Tetraphenyl-2-pentene-1,5-dione
SpectraBase Compound ID 1ybQWryPuvf
InChI InChI=1S/C29H22O2/c30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(31)25-19-11-4-12-20-25/h1-21,26H/b27-21-
InChIKey LKZRVBKNDDKCIG-MEFGMAGPSA-N
Mol Weight 402.49 g/mol
Molecular Formula C29H22O2
Exact Mass 402.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lFmu39gbur
Name 1,2,4,5-Tetraphenyl-2-pentene-1,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.161979946 u
Formula C29H22O2
InChI InChI=1S/C29H22O2/c30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(31)25-19-11-4-12-20-25/h1-21,26H/b27-21-
InChIKey LKZRVBKNDDKCIG-MEFGMAGPSA-N
Molecular Weight 402.493 g/mol
SMILES C(\C=C/(C(=O)C=1C=CC=CC1)C1=CC=CC=C1)(C(=O)C1=CC=CC=C1)C=1C=CC=CC1