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 Google Search
Mol Weight	718.9 g/mol
Molecular Formula	C54H38O2
Exact Mass	718.28718 g/mol

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SpectraBase Spectrum ID	5b6BXEL9u8t
Name	1,3-Bis[2-oxo-3-(p-tolyl)-4,5-diphenylcyclopenta-1,4-dienyl]benzene
Alternate Name(s)	2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenyl-1-cyclopenta-1,3-dienyl]phenyl]-3,4-diphenyl-1-cyclopenta-2,4-dienone 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one 2-[3-[5-oxo-2,3-diphenyl-4-(p-tolyl)cyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenyl-5-(p-tolyl)cyclopenta-2,4-dien-1-one 2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxidanylidene-2,3-diphenyl-cyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenyl-cyclopenta-2,4-dien-1-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c2ccccc2)=C(C1=O)c1ccc(cc1)C)c1ccccc1)c1cc(C2=C(C(c3ccccc3)=C(C2=O)c2ccc(cc2)C)c2ccccc2)ccc1
SPLASH	splash10-014i-0000000900-ef36a59dbfbdada08284
Source of Spectrum	J-65-7716-10
Wiley ID	1533685