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11-{Bis[4-(2-phenylethynyl)phenyl]methylene}-11H-benzo[b]fluorene
SpectraBase Compound ID BNsj3D7aT0y
InChI InChI=1S/C46H28/c1-3-11-33(12-4-1)19-21-35-23-27-37(28-24-35)45(38-29-25-36(26-30-38)22-20-34-13-5-2-6-14-34)46-42-18-10-9-17-41(42)43-31-39-15-7-8-16-40(39)32-44(43)46/h1-18,23-32H
InChIKey OHRIOLZPEFAVCP-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C46H28
Exact Mass 580.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CjgLrHoogB
Name 11-{Bis[4-(2-phenylethynyl)phenyl]methylene}-11H-benzo[b]fluorene
Comments Less than 3 mono-isotopic peaks
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Formula C46H28
InChI InChI=1S/C46H28/c1-3-11-33(12-4-1)19-21-35-23-27-37(28-24-35)45(38-29-25-36(26-30-38)22-20-34-13-5-2-6-14-34)46-42-18-10-9-17-41(42)43-31-39-15-7-8-16-40(39)32-44(43)46/h1-18,23-32H
InChIKey OHRIOLZPEFAVCP-UHFFFAOYSA-N
Molecular Weight 580.730 g/mol
SMILES C1(c2c(cc3c(c2)cccc3)-c2c1cccc2)=C(c1ccc(C#Cc2ccccc2)cc1)c1ccc(C#Cc2ccccc2)cc1
SPLASH splash10-001i-0000090000-feabd181d7aafd9bf4e1
Source of Spectrum U1-2011-2998-4d
Wiley ID 1665597