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1,4-Bis[bis(phenylethynyl)methylene]cyclohexane
SpectraBase Compound ID EZkf38r5g35
InChI InChI=1S/C40H28/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/h1-20H,29-32H2
InChIKey GNVLCKREILEIMT-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C40H28
Exact Mass 508.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVvA0hJqO6P
Name 1,4-Bis[bis(phenylethynyl)methylene]cyclohexane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H28
InChI InChI=1S/C40H28/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/h1-20H,29-32H2
InChIKey GNVLCKREILEIMT-UHFFFAOYSA-N
Molecular Weight 508.664 g/mol
SMILES C1(CCC(CC1)=C(C#Cc1ccccc1)C#Cc1ccccc1)=C(C#Cc1ccccc1)C#Cc1ccccc1
SPLASH splash10-0a4i-0002390000-305e0fe55810b4812fca
Source of Spectrum U1-2002-1717-36
Synonyms 1,4-bis[1',5'-Diphenylpenta-1',4'-diyn-3'-ylidene]cyclohexane (5-phenyl-3-{4-[3-phenyl-1-(phenylethynyl)-2-propynylidene]cyclohexylidene}-1,4-pentadiynyl)benzene 1,4-Bis(1,5-diphenylpenta-1,4-diyn-3-ylidene)cyclohexane
Wiley ID 1522568