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2,10-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)

2,10-Bis(4-Phenylbuta-1,3-diynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID FIeOoWK8nlt
InChI InChI=1S/C31H18/c1-3-13-26(14-4-1)17-7-9-21-29-23-11-19-28-20-12-24-30(31(29)25-28)22-10-8-18-27-15-5-2-6-16-27/h1-6,11-16,19-20,23-24H,25H2
InChIKey BCKSNLCZWCXXIO-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 7znLqKP3HNP
Name 2,10-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)17-7-9-21-29-23-11-19-28-20-12-24-30(31(29)25-28)22-10-8-18-27-15-5-2-6-16-27/h1-6,11-16,19-20,23-24H,25H2
InChIKey BCKSNLCZWCXXIO-UHFFFAOYSA-N
Molecular Weight 390.485 g/mol
SMILES C12=C(C=CC=C(C=CC=C2C#CC#Cc2ccccc2)C1)C#CC#Cc1ccccc1
SPLASH splash10-000l-0039000000-9985681a271675dd1efe
Source of Spectrum SO-0-1509-13
Synonyms 2,10-bis(4-phenyl-1,3-butadiynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Wiley ID 1546094