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3-Fluoro-2-(4,4,4-trifluorobutyl)benzonitrile
SpectraBase Compound ID Bz5OofYsCqh
InChI InChI=1S/C11H9F4N/c12-10-5-1-3-8(7-16)9(10)4-2-6-11(13,14)15/h1,3,5H,2,4,6H2
InChIKey CGNDMMBJGIWNEX-UHFFFAOYSA-N
Mol Weight 231.19 g/mol
Molecular Formula C11H9F4N
Exact Mass 231.067112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fo0FVLiyw5j
Name 3-Fluoro-2-(4,4,4-trifluorobutyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9F4N
InChI InChI=1S/C11H9F4N/c12-10-5-1-3-8(7-16)9(10)4-2-6-11(13,14)15/h1,3,5H,2,4,6H2
InChIKey CGNDMMBJGIWNEX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201411960
Molecular Weight 231.194 g/mol
SMILES c1c(F)c(c(C#N)cc1)CCCC(F)(F)F
SPLASH splash10-001i-6910000000-ebf043d6caf8230a0898
Source of Spectrum ACI-54-4478/SMSI15-5e
Wiley ID 1760521