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L-Phenylalanine, N-allyloxycarbonyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-allyloxycarbonyl-, dodecyl ester
SpectraBase Compound ID 4IIuurXbOea
InChI InChI=1S/C25H39NO4/c1-3-5-6-7-8-9-10-11-12-16-20-29-24(27)23(26-25(28)30-19-4-2)21-22-17-14-13-15-18-22/h4,13-15,17-18,23H,2-3,5-12,16,19-21H2,1H3,(H,26,28)
InChIKey GNSDZHLXPRZNNX-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C25H39NO4
Exact Mass 417.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3cfvGQpHdK
Name L-Phenylalanine, N-allyloxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.287908736 u
Formula C25H39NO4
InChI InChI=1S/C25H39NO4/c1-3-5-6-7-8-9-10-11-12-16-20-29-24(27)23(26-25(28)30-19-4-2)21-22-17-14-13-15-18-22/h4,13-15,17-18,23H,2-3,5-12,16,19-21H2,1H3,(H,26,28)
InChIKey GNSDZHLXPRZNNX-UHFFFAOYSA-N
Molecular Weight 417.590 g/mol
SMILES C=CCOC(NC(C(OCCCCCCCCCCCC)=O)CC1=CC=CC=C1)=O