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3-(2,6-Difluorophenyl)-2-(phenylsulfonyl)propanenitrile
SpectraBase Compound ID CouGknvnmSL
InChI InChI=1S/C15H11F2NO2S/c16-14-7-4-8-15(17)13(14)9-12(10-18)21(19,20)11-5-2-1-3-6-11/h1-8,12H,9H2
InChIKey FVVYEPQEFFTJQZ-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C15H11F2NO2S
Exact Mass 307.047856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TtZf9Qx3ep
Name 3-(2,6-Difluorophenyl)-2-(phenylsulfonyl)propanenitrile
Appearance Colorless solid
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Exact Mass 307.047856096 u
Formula C15H11F2NO2S
InChI InChI=1S/C15H11F2NO2S/c16-14-7-4-8-15(17)13(14)9-12(10-18)21(19,20)11-5-2-1-3-6-11/h1-8,12H,9H2
InChIKey FVVYEPQEFFTJQZ-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.202005400
Molecular Weight 307.315 g/mol
Quality 214
Reported Formula C15H11NO2F2S
SMILES C1=CC=C(C=C1)S(C(CC1=C(C=CC=C1F)F)C#N)(=O)=O
SPLASH splash10-00mo-3900000000-1ad2ca3fadd83e347a17
Source of Spectrum QE-27-SM6-1i (DOI: 10.1002/chem.202005400)
Thin-Layer Chromatography 0.6 (CH2Cl2)
Wiley ID 1902075