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1,4-Bis[(4-tert-butylphenyl)ethynyl]-2-(trifluoromethyl)benzene
SpectraBase Compound ID EAyuN71DLF
InChI InChI=1S/C31H29F3/c1-29(2,3)26-17-11-22(12-18-26)7-8-24-10-16-25(28(21-24)31(32,33)34)15-9-23-13-19-27(20-14-23)30(4,5)6/h10-14,16-21H,1-6H3
InChIKey KFTNSEYNORIJRR-UHFFFAOYSA-N
Mol Weight 458.57 g/mol
Molecular Formula C31H29F3
Exact Mass 458.222135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWTldnzPuL2
Name 1,4-Bis[(4-tert-butylphenyl)ethynyl]-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29F3
InChI InChI=1S/C31H29F3/c1-29(2,3)26-17-11-22(12-18-26)7-8-24-10-16-25(28(21-24)31(32,33)34)15-9-23-13-19-27(20-14-23)30(4,5)6/h10-14,16-21H,1-6H3
InChIKey KFTNSEYNORIJRR-UHFFFAOYSA-N
Molecular Weight 458.568 g/mol
SMILES C(c1c(C#Cc2ccc(C(C)(C)C)cc2)ccc(C#Cc2ccc(C(C)(C)C)cc2)c1)(F)(F)F
SPLASH splash10-0a4l-0000900000-87d6e53d4acf385854bc
Source of Spectrum U1-2013-8130-4f
Synonyms 4,4'-((2-(trifluoromethyl)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(tert-butylbenzene)
Wiley ID 1740416