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4-[N-(2-Fluoro-2-phenylethyl)-S-methylsulfonimidoyl]benzonitrile
SpectraBase Compound ID 4SByupEOeir
InChI InChI=1S/C16H15FN2OS/c1-21(20,15-9-7-13(11-18)8-10-15)19-12-16(17)14-5-3-2-4-6-14/h2-10,16H,12H2,1H3
InChIKey AKWQJZSDMFQXQK-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C16H15FN2OS
Exact Mass 302.088912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjFHJZIFZ01
Name 4-[N-(2-Fluoro-2-phenylethyl)-S-methylsulfonimidoyl]benzonitrile
Appearance Yellow viscous oil
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Formula C16H15FN2OS
InChI InChI=1S/C16H15FN2OS/c1-21(20,15-9-7-13(11-18)8-10-15)19-12-16(17)14-5-3-2-4-6-14/h2-10,16H,12H2,1H3
InChIKey AKWQJZSDMFQXQK-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.202005844
Molecular Weight 302.367 g/mol
Reported Formula C16H15FN2OS
SMILES C(C(F)c1ccccc1)N=S(c1ccc(cc1)C#N)(C)=O
SPLASH splash10-00kf-0900000000-dee22ef240f675bfb9d1
Sample Comments dr = 1:1
Source of Spectrum ACI-59-SM9-7ia
Wiley ID 1858232