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1,3-Diphenyl-2,4-bis(4-methylphenyl)but-2-en-1,4-dione isomer

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

1,3-Diphenyl-2,4-bis(4-methylphenyl)but-2-en-1,4-dione isomer
SpectraBase Compound ID CWR1B43x79M
InChI InChI=1S/C30H24O2/c1-21-13-17-24(18-14-21)28(29(31)25-11-7-4-8-12-25)27(23-9-5-3-6-10-23)30(32)26-19-15-22(2)16-20-26/h3-20H,1-2H3/b28-27+
InChIKey UTRVUKXQQAHVAC-BYYHNAKLSA-N
Mol Weight 416.52 g/mol
Molecular Formula C30H24O2
Exact Mass 416.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnfUwpjnsRA
Name 1,3-Diphenyl-2,4-bis(4-methylphenyl)but-2-en-1,4-dione isomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.177630011 u
Formula C30H24O2
InChI InChI=1S/C30H24O2/c1-21-13-17-24(18-14-21)28(29(31)25-11-7-4-8-12-25)27(23-9-5-3-6-10-23)30(32)26-19-15-22(2)16-20-26/h3-20H,1-2H3/b28-27+
InChIKey UTRVUKXQQAHVAC-BYYHNAKLSA-N
Molecular Weight 416.520 g/mol
SMILES C(\C(=C\(C(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C)C1=CC=CC=C1)(C1=CC=C(C=C1)C)=O