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2,6-Bis( phenylethynyl)-3,5-bis((4-methoxyphenyl)ethynyl)-pyridine
SpectraBase Compound ID 4bBbJVARfcF
InChI InChI=1S/C39H25NO2/c1-41-36-23-15-32(16-24-36)13-21-34-29-35(22-14-33-17-25-37(42-2)26-18-33)39(28-20-31-11-7-4-8-12-31)40-38(34)27-19-30-9-5-3-6-10-30/h3-12,15-18,23-26,29H,1-2H3
InChIKey BOHJIZFGYIHETA-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C39H25NO2
Exact Mass 539.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CM8K7OetAUX
Name 2,6-Bis( phenylethynyl)-3,5-bis((4-methoxyphenyl)ethynyl)-pyridine
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Formula C39H25NO2
InChI InChI=1S/C39H25NO2/c1-41-36-23-15-32(16-24-36)13-21-34-29-35(22-14-33-17-25-37(42-2)26-18-33)39(28-20-31-11-7-4-8-12-31)40-38(34)27-19-30-9-5-3-6-10-30/h3-12,15-18,23-26,29H,1-2H3
InChIKey BOHJIZFGYIHETA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01292e
Molecular Weight 539.634 g/mol
SMILES c1(C#Cc2ccc(cc2)OC)cc(C#Cc2ccc(cc2)OC)c(C#Cc2ccccc2)nc1C#Cc1ccccc1
SPLASH splash10-000i-0000090000-529b8541de02f308a968
Source of Spectrum F5-12-8638-12c
Synonyms 3,5-Bis((4-methoxyphenyl)ethynyl)-2,6-bis(phenylethynyl)pyridine
Wiley ID 1748276