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1,4-Bis[bis(phenylethynyl)methylene]cyclohexa-2,5-diene
SpectraBase Compound ID JxAg5TktsCo
InChI InChI=1S/C40H24/c1-5-13-33(14-6-1)21-25-37(26-22-34-15-7-2-8-16-34)39-29-31-40(32-30-39)38(27-23-35-17-9-3-10-18-35)28-24-36-19-11-4-12-20-36/h1-20,29-32H
InChIKey IFPOXJPMTZSORH-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C40H24
Exact Mass 504.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO11Gkgyrdg
Name 1,4-Bis[bis(phenylethynyl)methylene]cyclohexa-2,5-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H24
InChI InChI=1S/C40H24/c1-5-13-33(14-6-1)21-25-37(26-22-34-15-7-2-8-16-34)39-29-31-40(32-30-39)38(27-23-35-17-9-3-10-18-35)28-24-36-19-11-4-12-20-36/h1-20,29-32H
InChIKey IFPOXJPMTZSORH-UHFFFAOYSA-N
Molecular Weight 504.632 g/mol
SMILES C(C(C#Cc1ccccc1)=C1C=CC(=C(C#Cc2ccccc2)C#Cc2ccccc2)C=C1)#Cc1ccccc1
SPLASH splash10-0ufr-0042390000-a827a0c984a5c53601e0
Source of Spectrum SO-0-1366-9
Synonyms (5-phenyl-3-{4-[3-phenyl-1-(phenylethynyl)-2-propynylidene]-2,5-cyclohexadien-1-ylidene}-1,4-pentadiynyl)benzene
Wiley ID 875745