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L-Phenylalanine, N-allyloxycarbonyl-, pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Phenylalanine, N-allyloxycarbonyl-, pentyl ester
SpectraBase Compound ID EFcArSuwIzH
InChI InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,19,21)
InChIKey KXUWEASSAQPFON-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmMUZzPZVmD
Name L-Phenylalanine, N-allyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.178358285 u
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,19,21)
InChIKey KXUWEASSAQPFON-UHFFFAOYSA-N
Molecular Weight 319.401 g/mol
SMILES C=CCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O