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L-Phenylalanine, N-ethoxycarbonyl-, nonyl ester

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L-Phenylalanine, N-ethoxycarbonyl-, nonyl ester
SpectraBase Compound ID 3DYDMOsTAo2
InChI InChI=1S/C21H33NO4/c1-3-5-6-7-8-9-13-16-26-20(23)19(22-21(24)25-4-2)17-18-14-11-10-12-15-18/h10-12,14-15,19H,3-9,13,16-17H2,1-2H3,(H,22,24)
InChIKey HHMIUXFHTFMJLN-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 1TiI2thopxi
Name L-Phenylalanine, N-ethoxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-3-5-6-7-8-9-13-16-26-20(23)19(22-21(24)25-4-2)17-18-14-11-10-12-15-18/h10-12,14-15,19H,3-9,13,16-17H2,1-2H3,(H,22,24)
InChIKey HHMIUXFHTFMJLN-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES CCOC(NC(C(OCCCCCCCCC)=O)CC1=CC=CC=C1)=O