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1,3-Bis[2-oxo-3-(p-tolyl)-4,5-diphenylcyclopenta-1,4-dienyl]benzene

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1,3-Bis[2-oxo-3-(p-tolyl)-4,5-diphenylcyclopenta-1,4-dienyl]benzene
SpectraBase Compound ID 9WmTwa8meC
InChI InChI=1S/C54H38O2/c1-35-26-30-41(31-27-35)49-45(37-16-7-3-8-17-37)47(39-20-11-5-12-21-39)51(53(49)55)43-24-15-25-44(34-43)52-48(40-22-13-6-14-23-40)46(38-18-9-4-10-19-38)50(54(52)56)42-32-28-36(2)29-33-42/h3-34H,1-2H3
InChIKey BWQHVWCHINNHFC-UHFFFAOYSA-N
Mol Weight 718.9 g/mol
Molecular Formula C54H38O2
Exact Mass 718.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L75SrCQny5d
Name 1,3-bis[2-oxo-3-(p-Tolyl)-4,5-diphenylcyclopenta-1,4-dienyl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 718.287180462 u
Formula C54H38O2
InChI InChI=1S/C54H38O2/c1-35-26-30-41(31-27-35)49-45(37-16-7-3-8-17-37)47(39-20-11-5-12-21-39)51(53(49)55)43-24-15-25-44(34-43)52-48(40-22-13-6-14-23-40)46(38-18-9-4-10-19-38)50(54(52)56)42-32-28-36(2)29-33-42/h3-34H,1-2H3
InChIKey BWQHVWCHINNHFC-UHFFFAOYSA-N
Molecular Weight 718.896 g/mol
SMILES C1(=C(C(C2=CC=CC=C2)=C(C1=O)C=1C=CC(=CC1)C)C1=CC=CC=C1)C1=CC(C2=C(C(C3=CC=CC=C3)=C(C2=O)C2=CC=C(C=C2)C)C=2C=CC=CC2)=CC=C1