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Propionic acid, 3-(4-ethoxyphenyl)-3-(2-fluorobenzoylamino)-, ethyl ester
SpectraBase Compound ID CpiU71FIPkd
InChI InChI=1S/C20H22FNO4/c1-3-25-15-11-9-14(10-12-15)18(13-19(23)26-4-2)22-20(24)16-7-5-6-8-17(16)21/h5-12,18H,3-4,13H2,1-2H3,(H,22,24)
InChIKey NITKZJLMLWRHHC-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C20H22FNO4
Exact Mass 359.153286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DthYmtZ6QzY
Name Propionic acid, 3-(4-ethoxyphenyl)-3-(2-fluorobenzoylamino)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.153286351 u
Formula C20H22FNO4
InChI InChI=1S/C20H22FNO4/c1-3-25-15-11-9-14(10-12-15)18(13-19(23)26-4-2)22-20(24)16-7-5-6-8-17(16)21/h5-12,18H,3-4,13H2,1-2H3,(H,22,24)
InChIKey NITKZJLMLWRHHC-UHFFFAOYSA-N
Molecular Weight 359.397 g/mol
SMILES C1=CC(=CC=C1C(CC(OCC)=O)NC(=O)C1=CC=CC=C1F)OCC