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(Z)-2,4-Bis(2,4-dimethylphenyl)-1,3-diphenyl-2-buten-1,4-dione
SpectraBase Compound ID EHwAOvkf0tU
InChI InChI=1S/C32H28O2/c1-21-15-17-27(23(3)19-21)30(31(33)26-13-9-6-10-14-26)29(25-11-7-5-8-12-25)32(34)28-18-16-22(2)20-24(28)4/h5-20H,1-4H3/b30-29-
InChIKey XRSVAOBQDPCSJO-FLWNBWAVSA-N
Mol Weight 444.6 g/mol
Molecular Formula C32H28O2
Exact Mass 444.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11bcfwXqStK
Name (Z)-2,4-bis(2,4-Dimethylphenyl)-1,3-diphenyl-2-buten-1,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 444.208930140 u
Formula C32H28O2
InChI InChI=1S/C32H28O2/c1-21-15-17-27(23(3)19-21)30(31(33)26-13-9-6-10-14-26)29(25-11-7-5-8-12-25)32(34)28-18-16-22(2)20-24(28)4/h5-20H,1-4H3/b30-29-
InChIKey XRSVAOBQDPCSJO-FLWNBWAVSA-N
Molecular Weight 444.574 g/mol
SMILES C(\C(=C\(C=1C(=CC(=CC1)C)C)C(=O)C=1C=CC=CC1)C1=CC=CC=C1)(C=1C(=CC(=CC1)C)C)=O