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N-(Phenoxyacetyl)phenylalanine
SpectraBase Compound ID 3cPzwWKccZg
InChI InChI=1S/C17H17NO4/c19-16(12-22-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)
InChIKey MEXVAAGSEKDAHV-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADZSujJFfOa
Name N-(Phenoxyacetyl)phenylalanine
Comments Computed using HOSE algorithm
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Exact Mass 299.115758027 u
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c19-16(12-22-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)
InChIKey MEXVAAGSEKDAHV-UHFFFAOYSA-N
SMILES C(NC(=O)COC1=CC=CC=C1)(CC1=CC=CC=C1)C(=O)O