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3-(4-Ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid

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

3-(4-Ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
SpectraBase Compound ID IKE5FtSpaPB
InChI InChI=1S/C18H18FNO4/c1-2-24-15-9-5-12(6-10-15)16(11-17(21)22)20-18(23)13-3-7-14(19)8-4-13/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,22)
InChIKey SZJQDUPPRYXDFZ-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C18H18FNO4
Exact Mass 331.121986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeMe2iVQQi5
Name 3-(4-Ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 331.121986223 u
Formula C18H18FNO4
InChI InChI=1S/C18H18FNO4/c1-2-24-15-9-5-12(6-10-15)16(11-17(21)22)20-18(23)13-3-7-14(19)8-4-13/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,22)
InChIKey SZJQDUPPRYXDFZ-UHFFFAOYSA-N
Molecular Weight 331.343 g/mol
SMILES C(C1=CC=C(C=C1)F)(NC(CC(=O)O)C1=CC=C(C=C1)OCC)=O