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L-Phenylalanine, N-ethoxycarbonyl-, propyl ester
SpectraBase Compound ID FTZYtcwpXCc
InChI InChI=1S/C15H21NO4/c1-3-10-20-14(17)13(16-15(18)19-4-2)11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)
InChIKey WMSBITCZLZIOCH-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kyjg6WV5Wf4
Name L-Phenylalanine, N-ethoxycarbonyl-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 279.147058156 u
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-3-10-20-14(17)13(16-15(18)19-4-2)11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)
InChIKey WMSBITCZLZIOCH-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES CCOC(NC(C(OCCC)=O)CC1=CC=CC=C1)=O