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3-Benzoylamino-2-(hydroxy-phenyl-methyl)-butyric acid, methyl ester
SpectraBase Compound ID 59ekFVVpKQ5
InChI InChI=1S/C19H21NO4/c1-13(20-18(22)15-11-7-4-8-12-15)16(19(23)24-2)17(21)14-9-5-3-6-10-14/h3-13,16-17,21H,1-2H3,(H,20,22)
InChIKey PUWDQZHWPJOCOX-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ef3ltVwRKPa
Name 3-Benzoylamino-2-(hydroxy-phenyl-methyl)-butyric acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.147058156 u
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-13(20-18(22)15-11-7-4-8-12-15)16(19(23)24-2)17(21)14-9-5-3-6-10-14/h3-13,16-17,21H,1-2H3,(H,20,22)
InChIKey PUWDQZHWPJOCOX-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES C1=CC=CC(=C1)C(O)C(C(C)NC(C=1C=CC=CC1)=O)C(OC)=O