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L-Phenylalanine, N-propoxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-propoxycarbonyl-, octyl ester
SpectraBase Compound ID HRqiyFICiBJ
InChI InChI=1S/C21H33NO4/c1-3-5-6-7-8-12-16-25-20(23)19(22-21(24)26-15-4-2)17-18-13-10-9-11-14-18/h9-11,13-14,19H,3-8,12,15-17H2,1-2H3,(H,22,24)
InChIKey ZUYIMTQKVUXBIG-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C21H33NO4
Exact Mass 363.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49PYLHKTGmX
Name L-Phenylalanine, N-propoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-3-5-6-7-8-12-16-25-20(23)19(22-21(24)26-15-4-2)17-18-13-10-9-11-14-18/h9-11,13-14,19H,3-8,12,15-17H2,1-2H3,(H,22,24)
InChIKey ZUYIMTQKVUXBIG-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES CCCOC(NC(C(OCCCCCCCC)=O)CC1=CC=CC=C1)=O