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2-(4-fluorophenyl)-3-(tosylamino)propionic acid ethyl ester
SpectraBase Compound ID DNH595jApJV
InChI InChI=1S/C18H20FNO4S/c1-3-24-18(21)17(14-6-8-15(19)9-7-14)12-20-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,20H,3,12H2,1-2H3
InChIKey GJOOLIHHTSWDCG-UHFFFAOYSA-N
Mol Weight 365.42 g/mol
Molecular Formula C18H20FNO4S
Exact Mass 365.109707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DopY6xlGugo
Name 2-(4-fluorophenyl)-3-(tosylamino)propionic acid ethyl ester
Alternate Name(s) 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester ethyl 2-(4-fluorophenyl)-3-(p-tolylsulfonylamino)propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H20FNO4S
InChI InChI=1S/C18H20FNO4S/c1-3-24-18(21)17(14-6-8-15(19)9-7-14)12-20-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,20H,3,12H2,1-2H3
InChIKey GJOOLIHHTSWDCG-UHFFFAOYSA-N
Molecular Weight 365.419 g/mol
SMILES N(CC(C(=O)OCC)c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-001i-0902000000-bec37024cc72203f8c23
Source of Spectrum D1-2002-151-3
Wiley ID 1548019