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1,4-Bis[(4-benzonitrile)ethynyl]-2-(trifluoromethyl)benzene
SpectraBase Compound ID 4QpDnnaS60j
InChI InChI=1S/C25H11F3N2/c26-25(27,28)24-15-20(6-1-18-2-7-21(16-29)8-3-18)12-14-23(24)13-11-19-4-9-22(17-30)10-5-19/h2-5,7-10,12,14-15H
InChIKey ZRARSRZKYLMATG-UHFFFAOYSA-N
Mol Weight 396.37 g/mol
Molecular Formula C25H11F3N2
Exact Mass 396.087433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AznTU0myaQ4
Name 1,4-Bis[(4-benzonitrile)ethynyl]-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H11F3N2
InChI InChI=1S/C25H11F3N2/c26-25(27,28)24-15-20(6-1-18-2-7-21(16-29)8-3-18)12-14-23(24)13-11-19-4-9-22(17-30)10-5-19/h2-5,7-10,12,14-15H
InChIKey ZRARSRZKYLMATG-UHFFFAOYSA-N
Molecular Weight 396.372 g/mol
SMILES C(c1c(C#Cc2ccc(C#N)cc2)ccc(C#Cc2ccc(C#N)cc2)c1)(F)(F)F
SPLASH splash10-0002-0009000000-6b5a80f41eed0c5a096a
Source of Spectrum U1-2013-8131-4j
Synonyms 4,4'-((2-(trifluoromethyl)-1,4-phenylene)bis(ethyne-2,1-diyl))dibenzonitrile
Wiley ID 1740414