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L-Phenylalanine, N-isobutoxycarbonyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-isobutoxycarbonyl-, decyl ester
SpectraBase Compound ID 7koPHhLr6cK
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-14-17-28-23(26)22(18-21-15-12-11-13-16-21)25-24(27)29-19-20(2)3/h11-13,15-16,20,22H,4-10,14,17-19H2,1-3H3,(H,25,27)
InChIKey YPEHDZXCZCMPAF-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bi9HinrvOOU
Name L-Phenylalanine, N-isobutoxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-14-17-28-23(26)22(18-21-15-12-11-13-16-21)25-24(27)29-19-20(2)3/h11-13,15-16,20,22H,4-10,14,17-19H2,1-3H3,(H,25,27)
InChIKey YPEHDZXCZCMPAF-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES CC(C)COC(NC(C(OCCCCCCCCCC)=O)CC1=CC=CC=C1)=O