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1,4-Bis(p-tolylethynyl)-2-(trifluoromethyl)benzene
SpectraBase Compound ID 1tLOCkgObjG
InChI InChI=1S/C25H17F3/c1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(17-22)25(26,27)28)15-13-21-9-5-19(2)6-10-21/h3-10,14,16-17H,1-2H3
InChIKey GBKDBBMDDAUYSI-UHFFFAOYSA-N
Mol Weight 374.41 g/mol
Molecular Formula C25H17F3
Exact Mass 374.128235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw2XwDJPtzA
Name 1,4-Bis(p-tolylethynyl)-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17F3
InChI InChI=1S/C25H17F3/c1-18-3-7-20(8-4-18)11-12-22-14-16-23(24(17-22)25(26,27)28)15-13-21-9-5-19(2)6-10-21/h3-10,14,16-17H,1-2H3
InChIKey GBKDBBMDDAUYSI-UHFFFAOYSA-N
Molecular Weight 374.406 g/mol
SMILES C(c1c(C#Cc2ccc(cc2)C)ccc(C#Cc2ccc(cc2)C)c1)(F)(F)F
SPLASH splash10-00di-0009000000-613294977799ed90147e
Source of Spectrum U1-2013-8129-4b
Synonyms 4,4'-((2-(trifluoromethyl)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(methylbenzene) 1,4-Bis[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)benzene
Wiley ID 1740418