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N-[3-(4-Fluorophenyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID ILt6yxBEkxH
InChI InChI=1S/C16H14FNOS/c1-20(19,16-7-3-2-4-8-16)18-13-5-6-14-9-11-15(17)12-10-14/h2-4,7-12H,13H2,1H3
InChIKey AUHXBWNRPTZLGQ-UHFFFAOYSA-N
Mol Weight 287.35 g/mol
Molecular Formula C16H14FNOS
Exact Mass 287.078013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWGrum7aA4H
Name N-[3-(4-Fluorophenyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
Appearance Yellow oil
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Exact Mass 287.078013411 u
Formula C16H14FNOS
InChI InChI=1S/C16H14FNOS/c1-20(19,16-7-3-2-4-8-16)18-13-5-6-14-9-11-15(17)12-10-14/h2-4,7-12H,13H2,1H3
InChIKey AUHXBWNRPTZLGQ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Molecular Weight 287.352 g/mol
Quality 178
Reported Formula C16H14FNOS
SMILES C1(S(=NCC#CC2=CC=C(C=C2)F)(C)=O)=CC=CC=C1
SPLASH splash10-00fr-1930000000-f12e38a23dd8d7b4588e
Source of Spectrum QE-23-SM5-4l (DOI: 10.1002/chem.201700953)
Wiley ID 1905757