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1,4-Bis[(4-n-pentylphenyl)ethynyl]-2-(trifluoromethyl)benzene
SpectraBase Compound ID LVNYrHma3vq
InChI InChI=1S/C33H33F3/c1-3-5-7-9-26-11-15-28(16-12-26)19-20-30-22-24-31(32(25-30)33(34,35)36)23-21-29-17-13-27(14-18-29)10-8-6-4-2/h11-18,22,24-25H,3-10H2,1-2H3
InChIKey AYNZDTQJHILBDI-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C33H33F3
Exact Mass 486.253436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uNshsjo07m
Name 1,4-Bis[(4-n-pentylphenyl)ethynyl]-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H33F3
InChI InChI=1S/C33H33F3/c1-3-5-7-9-26-11-15-28(16-12-26)19-20-30-22-24-31(32(25-30)33(34,35)36)23-21-29-17-13-27(14-18-29)10-8-6-4-2/h11-18,22,24-25H,3-10H2,1-2H3
InChIKey AYNZDTQJHILBDI-UHFFFAOYSA-N
Molecular Weight 486.622 g/mol
SMILES C(c1c(C#Cc2ccc(cc2)CCCCC)ccc(C#Cc2ccc(cc2)CCCCC)c1)(F)(F)F
SPLASH splash10-000i-0001900000-63c831f0db247c8ae97c
Source of Spectrum U1-2013-8130-4d
Synonyms 4,4'-((2-(trifluoromethyl)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(pentylbenzene)
Wiley ID 1740417