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3,5-Bis((4-(tert-butyl)phenyl)ethynyl)-2,6-bis(4-fluorophenyl)pyridine
SpectraBase Compound ID bmMNRgJtkm
InChI InChI=1S/C41H35F2N/c1-40(2,3)34-19-9-28(10-20-34)7-13-32-27-33(14-8-29-11-21-35(22-12-29)41(4,5)6)39(31-17-25-37(43)26-18-31)44-38(32)30-15-23-36(42)24-16-30/h9-12,15-27H,1-6H3
InChIKey STKFFSVFKIYQPO-UHFFFAOYSA-N
Mol Weight 579.7 g/mol
Molecular Formula C41H35F2N
Exact Mass 579.273756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjKmrqgxwh1
Name 3,5-Bis((4-(tert-butyl)phenyl)ethynyl)-2,6-bis(4-fluorophenyl)pyridine
Appearance Off-white solid
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Formula C41H35F2N
InChI InChI=1S/C41H35F2N/c1-40(2,3)34-19-9-28(10-20-34)7-13-32-27-33(14-8-29-11-21-35(22-12-29)41(4,5)6)39(31-17-25-37(43)26-18-31)44-38(32)30-15-23-36(42)24-16-30/h9-12,15-27H,1-6H3
InChIKey STKFFSVFKIYQPO-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 579.735 g/mol
Reported Formula C41H35F2N
SMILES c1(c(cc(c(n1)-c1ccc(cc1)F)C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C)-c1ccc(cc1)F
SPLASH splash10-01t9-0000090000-0838170f3332785014c9
Source of Spectrum ASC-361-SM14-3u
Wiley ID 1837999