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2-(benzenesulfinyl)-2-fluoro-3-phenyl-propionic acid ethyl ester
SpectraBase Compound ID G4pnfR09LES
InChI InChI=1S/C17H17FO3S/c1-2-21-16(19)17(18,13-14-9-5-3-6-10-14)22(20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey JPCJKMFVSLLIKZ-UHFFFAOYSA-N
Mol Weight 320.38 g/mol
Molecular Formula C17H17FO3S
Exact Mass 320.088244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WqAIhoTvby
Name 2-(benzenesulfinyl)-2-fluoro-3-phenyl-propionic acid ethyl ester
Alternate Name(s) 2-(benzenesulfinyl)-2-fluoro-3-phenylpropanoic acid ethyl ester ethyl 2-(benzenesulfinyl)-2-fluoro-3-phenyl-propanoate ethyl 2-fluoranyl-3-phenyl-2-(phenylsulfinyl)propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H17FO3S
InChI InChI=1S/C17H17FO3S/c1-2-21-16(19)17(18,13-14-9-5-3-6-10-14)22(20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey JPCJKMFVSLLIKZ-UHFFFAOYSA-N
Molecular Weight 320.378 g/mol
SMILES C(S(=O)c1ccccc1)(C(=O)OCC)(Cc1ccccc1)F
SPLASH splash10-0006-0902000000-802fd22d72f86e83187e
Source of Spectrum F-50-4967-14
Wiley ID 1319992