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2,7-Bis(4-Phenylbuta-1,3-diynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene

View entire compound with spectra: 1 MS (GC)

2,7-Bis(4-Phenylbuta-1,3-diynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID 3CQYZKPbhkL
InChI InChI=1S/C31H18/c1-3-13-26(14-4-1)17-7-9-19-28-21-11-24-31-25-30(28)23-12-22-29(31)20-10-8-18-27-15-5-2-6-16-27/h1-6,11-16,21-24H,25H2
InChIKey SHOJGLLNMZFJPG-UHFFFAOYSA-N
Mol Weight 390.49 g/mol
Molecular Formula C31H18
Exact Mass 390.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDRJuSPIysv
Name 2,7-Bis(4-Phenylbuta-1,3-diynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H18
InChI InChI=1S/C31H18/c1-3-13-26(14-4-1)17-7-9-19-28-21-11-24-31-25-30(28)23-12-22-29(31)20-10-8-18-27-15-5-2-6-16-27/h1-6,11-16,21-24H,25H2
InChIKey SHOJGLLNMZFJPG-UHFFFAOYSA-N
Molecular Weight 390.485 g/mol
SMILES C12=C(C#CC#Cc3ccccc3)C=CC=C(C1)C(C#CC#Cc1ccccc1)=CC=C2
SPLASH splash10-000f-0059000000-17e167c66299503a6b1b
Source of Spectrum SO-0-1509-12
Synonyms 2,7-bis(4-phenyl-1,3-butadiynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Wiley ID 1546095