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2-(1,1,2,2-Tetrafluoroethoxy)benzonitrile
SpectraBase Compound ID LgiBJHRYeKP
InChI InChI=1S/C9H5F4NO/c10-8(11)9(12,13)15-7-4-2-1-3-6(7)5-14/h1-4,8H
InChIKey SCDWXGBJMRGCRL-UHFFFAOYSA-N
Mol Weight 219.14 g/mol
Molecular Formula C9H5F4NO
Exact Mass 219.030726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0UsdaZakoV
Name 2-(1,1,2,2-Tetrafluoroethoxy)benzonitrile
Appearance Colorless liquid
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Formula C9H5F4NO
InChI InChI=1S/C9H5F4NO/c10-8(11)9(12,13)15-7-4-2-1-3-6(7)5-14/h1-4,8H
InChIKey SCDWXGBJMRGCRL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705734
Molecular Weight 219.139 g/mol
Reported Formula C9H5NOF4
SMILES C=1(C(=CC=CC1)OC(C(F)F)(F)F)C#N
SPLASH splash10-014i-0090000000-d393f025821b3bd4d077
Source of Spectrum ACI-56-SM22-6e (DOI: 10.1002/anie.201705734)
Wiley ID 1896245