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9,10-Bis[(4-fluorophenyl)ethynyl]-1,8-diphenylphenanthrene
SpectraBase Compound ID KywZQ7Aktjs
InChI InChI=1S/C42H24F2/c43-33-23-17-29(18-24-33)21-27-39-40(28-22-30-19-25-34(44)26-20-30)42-36(32-11-5-2-6-12-32)14-8-16-38(42)37-15-7-13-35(41(37)39)31-9-3-1-4-10-31/h1-20,23-26H
InChIKey IMEXGQDDVOPBFP-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C42H24F2
Exact Mass 566.184607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bdcawfjLFb
Name 9,10-Bis[(4-fluorophenyl)ethynyl]-1,8-diphenylphenanthrene
Appearance Yellowish orange solid
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Exact Mass 566.184607099 u
Formula C42H24F2
InChI InChI=1S/C42H24F2/c43-33-23-17-29(18-24-33)21-27-39-40(28-22-30-19-25-34(44)26-20-30)42-36(32-11-5-2-6-12-32)14-8-16-38(42)37-15-7-13-35(41(37)39)31-9-3-1-4-10-31/h1-20,23-26H
InChIKey IMEXGQDDVOPBFP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201800150
Molecular Weight 566.651 g/mol
Reported Formula C42H24F2
SMILES C=1C=CC=2C=3C=CC=C(C3C(C#CC3=CC=C(C=C3)F)=C(C#CC3=CC=C(C=C3)F)C2C1C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-014i-0000980000-f88c24391e06bbc33290
Source of Spectrum QE-24-6629-1c (DOI: 10.1002/chem.201800150)
Wiley ID 1901460