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1,2,3,4,5-pentakis(2-phenylethynyl)benzene

View entire compound with spectra: 2 MS (GC)

1,2,3,4,5-pentakis(2-phenylethynyl)benzene
SpectraBase Compound ID ELwBXgQD94u
InChI InChI=1S/C46H26/c1-6-16-37(17-7-1)26-31-42-36-43(32-27-38-18-8-2-9-19-38)45(34-29-40-22-12-4-13-23-40)46(35-30-41-24-14-5-15-25-41)44(42)33-28-39-20-10-3-11-21-39/h1-25,36H
InChIKey TXBFYLDWUMJBOB-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C46H26
Exact Mass 578.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TTU91nxLnD
Name 1,2,3,4,5-pentakis(2-phenylethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H26
InChI InChI=1S/C46H26/c1-6-16-37(17-7-1)26-31-42-36-43(32-27-38-18-8-2-9-19-38)45(34-29-40-22-12-4-13-23-40)46(35-30-41-24-14-5-15-25-41)44(42)33-28-39-20-10-3-11-21-39/h1-25,36H
InChIKey TXBFYLDWUMJBOB-UHFFFAOYSA-N
Molecular Weight 578.714 g/mol
SMILES c1(c(c(c(c(c1)C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1
SPLASH splash10-004i-0000090000-79963663bca234304d2d
Source of Spectrum K1-2004-871-2
Wiley ID 1560415