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2,7-bis(2-phenylethynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID 1VVN4pWVPpS
InChI InChI=1S/C27H18/c1-3-9-22(10-4-1)17-19-24-13-7-16-27-21-26(24)15-8-14-25(27)20-18-23-11-5-2-6-12-23/h1-16H,21H2
InChIKey OGNAZLLEXZNSQC-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C27H18
Exact Mass 342.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lsp4LfQXJ0z
Name 2,7-bis(2-phenylethynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18
InChI InChI=1S/C27H18/c1-3-9-22(10-4-1)17-19-24-13-7-16-27-21-26(24)15-8-14-25(27)20-18-23-11-5-2-6-12-23/h1-16H,21H2
InChIKey OGNAZLLEXZNSQC-UHFFFAOYSA-N
Molecular Weight 342.441 g/mol
SMILES C(C=1C=2CC(=C(C#Cc3ccccc3)C=CC2)C=CC1)#Cc1ccccc1
SPLASH splash10-0006-0029000000-bb5ce383befab19e3161
Source of Spectrum H-80-1646-6
Wiley ID 1337092