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4-[2-[1-[4-[3-(2-pyridin-4-ylethynyl)-1-bicyclo[1.1.1]pentanyl]buta-1,3-diynyl]-3-bicyclo[1.1.1]pentanyl]ethynyl]pyridine

View entire compound with spectra: 1 MS (GC)

4-[2-[1-[4-[3-(2-pyridin-4-ylethynyl)-1-bicyclo[1.1.1]pentanyl]buta-1,3-diynyl]-3-bicyclo[1.1.1]pentanyl]ethynyl]pyridine
SpectraBase Compound ID 5QgAFSUHsVf
InChI InChI=1S/C28H20N2/c1(9-25-17-27(18-25,19-25)11-3-23-5-13-29-14-6-23)2-10-26-20-28(21-26,22-26)12-4-24-7-15-30-16-8-24/h5-8,13-16H,17-22H2
InChIKey KCDLZFFAWGZOLT-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C28H20N2
Exact Mass 384.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37pXmx6Y4g
Name 4-[2-[1-[4-[3-(2-pyridin-4-ylethynyl)-1-bicyclo[1.1.1]pentanyl]buta-1,3-diynyl]-3-bicyclo[1.1.1]pentanyl]ethynyl]pyridine
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Formula C28H20N2
InChI InChI=1S/C28H20N2/c1(9-25-17-27(18-25,19-25)11-3-23-5-13-29-14-6-23)2-10-26-20-28(21-26,22-26)12-4-24-7-15-30-16-8-24/h5-8,13-16H,17-22H2
InChIKey KCDLZFFAWGZOLT-UHFFFAOYSA-N
Molecular Weight 384.482 g/mol
SMILES C(#CC#CC12CC(C2)(C1)C#Cc1ccncc1)C12CC(C2)(C1)C#Cc1ccncc1
SPLASH splash10-001i-1129000000-4646ddc584448a84a1f1
Source of Spectrum J-67-5484-26
Synonyms 4-[2-[1-[4-[3-[2-(4-pyridyl)ethynyl]-1-bicyclo[1.1.1]pentanyl]buta-1,3-diynyl]-3-bicyclo[1.1.1]pentanyl]ethynyl]pyridine
Wiley ID 1570491