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(S)-Methyl 2-(4-methylphenylsulfonamido)-3-phenoxypropanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S)-Methyl 2-(4-methylphenylsulfonamido)-3-phenoxypropanoate
SpectraBase Compound ID AVUiZeV2EOM
InChI InChI=1S/C17H19NO5S/c1-13-8-10-15(11-9-13)24(20,21)18-16(17(19)22-2)12-23-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1
InChIKey VBJNJFVYJQTALP-INIZCTEOSA-N
Mol Weight 349.4 g/mol
Molecular Formula C17H19NO5S
Exact Mass 349.098394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAAGbYrLCBg
Name (S)-Methyl 2-(4-methylphenylsulfonamido)-3-phenoxypropanoate
Comments Computed using HOSE algorithm
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Exact Mass 349.098393885 u
Formula C17H19NO5S
InChI InChI=1S/C17H19NO5S/c1-13-8-10-15(11-9-13)24(20,21)18-16(17(19)22-2)12-23-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1
InChIKey VBJNJFVYJQTALP-INIZCTEOSA-N
Molecular Weight 349.401 g/mol
SMILES [C@@](COC=1C=CC=CC1)(C(OC)=O)(NS(C1=CC=C(C=C1)C)(=O)=O)[H]