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2,6-Di-n-butyl-1,1'-(1,2-ethynediyl)bisbenzene

View entire compound with spectra: 1 MS (GC)

2,6-Di-n-butyl-1,1'-(1,2-ethynediyl)bisbenzene
SpectraBase Compound ID HIyPuVp288r
InChI InChI=1S/C22H26/c1-3-5-13-20-15-10-16-21(14-6-4-2)22(20)18-17-19-11-8-7-9-12-19/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKey GKEOSNNSEVQDOE-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C22H26
Exact Mass 290.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TAnffW4JJX
Name 2,6-Di-n-butyl-1,1'-(1,2-ethynediyl)bisbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26
InChI InChI=1S/C22H26/c1-3-5-13-20-15-10-16-21(14-6-4-2)22(20)18-17-19-11-8-7-9-12-19/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKey GKEOSNNSEVQDOE-UHFFFAOYSA-N
Molecular Weight 290.450 g/mol
SMILES C(#Cc1ccccc1)c1c(cccc1CCCC)CCCC
SPLASH splash10-0k96-1090000000-bd81ab810bd30a9f40ee
Source of Spectrum AU-689-3746-10
Synonyms 1,3-Dibutyl-2-(phenylethynyl)benzene
Wiley ID 1576120