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1-Butyl-4-([4-(4-propylcyclohexyl)phenyl]ethynyl)benzene
SpectraBase Compound ID AGvryEaIUN2
InChI InChI=1S/C27H34/c1-3-5-7-23-8-10-24(11-9-23)12-13-25-16-20-27(21-17-25)26-18-14-22(6-4-2)15-19-26/h8-11,16-17,20-22,26H,3-7,14-15,18-19H2,1-2H3
InChIKey GDLPLQFXHWRNAY-UHFFFAOYSA-N
Mol Weight 358.6 g/mol
Molecular Formula C27H34
Exact Mass 358.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93QOfK0jlRQ
Name 1-Butyl-4-([4-(4-propylcyclohexyl)phenyl]ethynyl)benzene
CAS Registry Number 100558-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34
InChI InChI=1S/C27H34/c1-3-5-7-23-8-10-24(11-9-23)12-13-25-16-20-27(21-17-25)26-18-14-22(6-4-2)15-19-26/h8-11,16-17,20-22,26H,3-7,14-15,18-19H2,1-2H3
InChIKey GDLPLQFXHWRNAY-UHFFFAOYSA-N
Molecular Weight 358.569 g/mol
SMILES c1c(ccc(C#Cc2ccc(C3CCC(CCC)CC3)cc2)c1)CCCC
SPLASH splash10-066r-3294000000-d895a557ad5da3909d25
Synonyms 1-Butyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene Benzene, 1-[(4-butylphenyl)ethynyl]-4-(4-propylcyclohexyl)-
Wiley ID 1476041