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11-{Bis[4-(hex-1-ynyl)phenyl]methylene}-11H-benzo[b]fluorene
SpectraBase Compound ID 7VuJ6IRMcdx
InChI InChI=1S/C42H36/c1-3-5-7-9-15-31-21-25-33(26-22-31)41(34-27-23-32(24-28-34)16-10-8-6-4-2)42-38-20-14-13-19-37(38)39-29-35-17-11-12-18-36(35)30-40(39)42/h11-14,17-30H,3-8H2,1-2H3
InChIKey IKQLVFRPIMFGAO-UHFFFAOYSA-N
Mol Weight 540.8 g/mol
Molecular Formula C42H36
Exact Mass 540.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73PZYk13Odu
Name 11-{Bis[4-(hex-1-ynyl)phenyl]methylene}-11H-benzo[b]fluorene
Comments Less than 3 mono-isotopic peaks
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Formula C42H36
InChI InChI=1S/C42H36/c1-3-5-7-9-15-31-21-25-33(26-22-31)41(34-27-23-32(24-28-34)16-10-8-6-4-2)42-38-20-14-13-19-37(38)39-29-35-17-11-12-18-36(35)30-40(39)42/h11-14,17-30H,3-8H2,1-2H3
InChIKey IKQLVFRPIMFGAO-UHFFFAOYSA-N
Molecular Weight 540.750 g/mol
SMILES C1(c2c(cc3c(c2)cccc3)-c2c1cccc2)=C(c1ccc(C#CCCCC)cc1)c1ccc(C#CCCCC)cc1
SPLASH splash10-000i-0900040000-625192ae82979cffc629
Source of Spectrum U1-2011-2999-4e
Wiley ID 1665596