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1,3,5-Tris[(3-ethynylbicyclo[1.1.1]pentyl)ethynyl]benzene
SpectraBase Compound ID L5l4eR48qiP
InChI InChI=1S/C33H24/c1-4-28-16-31(17-28,18-28)10-7-25-13-26(8-11-32-19-29(5-2,20-32)21-32)15-27(14-25)9-12-33-22-30(6-3,23-33)24-33/h1-3,13-15H,16-24H2
InChIKey RWQWZCRQQBDMIC-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C33H24
Exact Mass 420.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qEQGBQ8vLb
Name 1,3,5-Tris[(3-ethynylbicyclo[1.1.1]pentyl)ethynyl]benzene
Alternate Name(s) 3-[2-[3,5-bis[2-(1-ethynyl-3-bicyclo[1.1.1]pentanyl)ethynyl]phenyl]ethynyl]-1-ethynylbicyclo[1.1.1]pentane
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Formula C33H24
InChI InChI=1S/C33H24/c1-4-28-16-31(17-28,18-28)10-7-25-13-26(8-11-32-19-29(5-2,20-32)21-32)15-27(14-25)9-12-33-22-30(6-3,23-33)24-33/h1-3,13-15H,16-24H2
InChIKey RWQWZCRQQBDMIC-UHFFFAOYSA-N
Molecular Weight 420.555 g/mol
SMILES c1(cc(cc(c1)C#CC12CC(C2)(C1)C#C)C#CC12CC(C2)(C1)C#C)C#CC12CC(C2)(C1)C#C
SPLASH splash10-0f79-0139100000-ff671a5eeee5bdcf10cc
Source of Spectrum U1-2012-4794-b
Wiley ID 1715738