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1,4-bis(trifluoromethyl)-2,3-bis(p-cyanophenyl)butane
SpectraBase Compound ID 556pz9IEsTf
InChI InChI=1S/C20H14F6N2/c21-19(22,23)9-17(15-5-1-13(11-27)2-6-15)18(10-20(24,25)26)16-7-3-14(12-28)4-8-16/h1-8,17-18H,9-10H2
InChIKey JVJIJKMZSCHHSF-UHFFFAOYSA-N
Mol Weight 396.34 g/mol
Molecular Formula C20H14F6N2
Exact Mass 396.106117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIMWqkincpl
Name 1,4-bis(trifluoromethyl)-2,3-bis(p-cyanophenyl)butane
Appearance Yellow solid
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Formula C20H14F6N2
InChI InChI=1S/C20H14F6N2/c21-19(22,23)9-17(15-5-1-13(11-27)2-6-15)18(10-20(24,25)26)16-7-3-14(12-28)4-8-16/h1-8,17-18H,9-10H2
InChIKey JVJIJKMZSCHHSF-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/adsc.202100828
Molecular Weight 396.336 g/mol
Reported Formula C20H14F6N2
SMILES c1cc(ccc1C#N)C(CC(F)(F)F)C(c1ccc(cc1)C#N)CC(F)(F)F
SPLASH splash10-001j-0900000000-e4db3c630d265c74912d
Source of Spectrum ASC-364-SM60-2k
Wiley ID 1875173