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Bis(2-ethynyl-4,5-dibutylphenyl)acetylene
SpectraBase Compound ID BBj36WoYAXv
InChI InChI=1S/C34H42/c1-7-13-17-29-23-27(11-5)33(25-31(29)19-15-9-3)21-22-34-26-32(20-16-10-4)30(18-14-8-2)24-28(34)12-6/h5-6,23-26H,7-10,13-20H2,1-4H3
InChIKey HJKBGEWVZYVSQU-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C34H42
Exact Mass 450.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zMgB4TAzqG
Name Bis(2-ethynyl-4,5-dibutylphenyl)acetylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42
InChI InChI=1S/C34H42/c1-7-13-17-29-23-27(11-5)33(25-31(29)19-15-9-3)21-22-34-26-32(20-16-10-4)30(18-14-8-2)24-28(34)12-6/h5-6,23-26H,7-10,13-20H2,1-4H3
InChIKey HJKBGEWVZYVSQU-UHFFFAOYSA-N
Molecular Weight 450.710 g/mol
SMILES C(#Cc1c(cc(c(c1)CCCC)CCCC)C#C)c1c(cc(c(c1)CCCC)CCCC)C#C
SPLASH splash10-0udi-0001900000-f6698e67e25f0848bc56
Source of Spectrum CV-2004-1531-8
Synonyms 1,2-Dibutyl-4-[(4,5-dibutyl-2-ethynylphenyl)ethynyl]-5-ethynylbenzene
Wiley ID 1611555