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L-Phenylalanine, N-propoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-propoxycarbonyl-, heptyl ester
SpectraBase Compound ID HmzgiXWF3ZZ
InChI InChI=1S/C20H31NO4/c1-3-5-6-7-11-15-24-19(22)18(21-20(23)25-14-4-2)16-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3,(H,21,23)
InChIKey DYMAKRCJVOCJCI-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFZmVibEfOG
Name L-Phenylalanine, N-propoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-3-5-6-7-11-15-24-19(22)18(21-20(23)25-14-4-2)16-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3,(H,21,23)
InChIKey DYMAKRCJVOCJCI-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES CCCOC(NC(C(OCCCCCCC)=O)CC1=CC=CC=C1)=O