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4-(3-(trifluoromethoxy)benzoyl)benzonitrile
SpectraBase Compound ID AQ7XsCpphDo
InChI InChI=1S/C15H8F3NO2/c16-15(17,18)21-13-3-1-2-12(8-13)14(20)11-6-4-10(9-19)5-7-11/h1-8H
InChIKey IESOVWONNTXOBD-UHFFFAOYSA-N
Mol Weight 291.23 g/mol
Molecular Formula C15H8F3NO2
Exact Mass 291.050713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3g6bUoguYEE
Name 4-(3-(trifluoromethoxy)benzoyl)benzonitrile
Appearance White solid
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Formula C15H8F3NO2
InChI InChI=1S/C15H8F3NO2/c16-15(17,18)21-13-3-1-2-12(8-13)14(20)11-6-4-10(9-19)5-7-11/h1-8H
InChIKey IESOVWONNTXOBD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814373
Molecular Weight 291.229 g/mol
Reported Formula C15H8F3NO2
SMILES c1cc(cc(c1)OC(F)(F)F)C(=O)c1ccc(cc1)C#N
SPLASH splash10-0019-0920000000-d6c242c7a506a7d288d9
Source of Spectrum ACI-58-SM37-15e
Thin-Layer Chromatography Rf = 0.50 (SiO2, i-hexane/EtOAc, 8:1)
Wiley ID 1843170