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5-Bromo-1,3-bis(3-oxo-2,4,5-triphenylcyclopenta-1,4-dienyl)benzene
SpectraBase Compound ID 64zZDE9Z9tY
InChI InChI=1S/C52H33BrO2/c53-42-32-40(45-43(34-19-7-1-8-20-34)47(36-23-11-3-12-24-36)51(54)49(45)38-27-15-5-16-28-38)31-41(33-42)46-44(35-21-9-2-10-22-35)48(37-25-13-4-14-26-37)52(55)50(46)39-29-17-6-18-30-39/h1-33H
InChIKey NYTBHYBTWWKFGS-UHFFFAOYSA-N
Mol Weight 769.7 g/mol
Molecular Formula C52H33BrO2
Exact Mass 768.166393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u9UR999tWC
Name 5-Bromo-1,3-bis(3-oxo-2,4,5-triphenylcyclopenta-1,4-dienyl)benzene
Alternate Name(s) 1,3-bis(3'-Oxo-2',4',5'-triphenylcyclopenta-1',4'-dienyl)-5-bromobenzene 3-[3-bromo-5-(3-oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)phenyl]-2,4,5-triphenyl-2,4-cyclopentadien-1-one
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Formula C52H33BrO2
InChI InChI=1S/C52H33BrO2/c53-42-32-40(45-43(34-19-7-1-8-20-34)47(36-23-11-3-12-24-36)51(54)49(45)38-27-15-5-16-28-38)31-41(33-42)46-44(35-21-9-2-10-22-35)48(37-25-13-4-14-26-37)52(55)50(46)39-29-17-6-18-30-39/h1-33H
InChIKey NYTBHYBTWWKFGS-UHFFFAOYSA-N
Molecular Weight 769.738 g/mol
SMILES C=1(C(=C(c2ccccc2)C(C1c1ccccc1)=O)c1ccccc1)c1cc(C=2C(=C(c3ccccc3)C(C2c2ccccc2)=O)c2ccccc2)cc(c1)Br
SPLASH splash10-01kc-0200000900-e875b43f48276528f91d
Source of Spectrum C-119-7299-5b
Wiley ID 1699271