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1,4-bis(4-n-butyl-phenylethynyl)-2,3,5-trimethylbenzene
SpectraBase Compound ID HDZAZRBAgeh
InChI InChI=1S/C33H36/c1-6-8-10-28-12-16-30(17-13-28)20-22-32-24-25(3)33(27(5)26(32)4)23-21-31-18-14-29(15-19-31)11-9-7-2/h12-19,24H,6-11H2,1-5H3
InChIKey IGQYAAFZDUIQOQ-UHFFFAOYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C33H36
Exact Mass 432.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lsw41lTqlUF
Name 1,4-bis(4-n-butyl-phenylethynyl)-2,3,5-trimethylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36
InChI InChI=1S/C33H36/c1-6-8-10-28-12-16-30(17-13-28)20-22-32-24-25(3)33(27(5)26(32)4)23-21-31-18-14-29(15-19-31)11-9-7-2/h12-19,24H,6-11H2,1-5H3
InChIKey IGQYAAFZDUIQOQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 432.651 g/mol
SMILES c1(c(c(c(c(c1)C)C#Cc1ccc(cc1)CCCC)C)C)C#Cc1ccc(cc1)CCCC
SPLASH splash10-001i-0001900000-9dcedb637723fbcafae1
Source of Spectrum DE102012003939A1
Wiley ID 1852168