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L-Phenylalanine, N-isobutoxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-isobutoxycarbonyl-, octyl ester
SpectraBase Compound ID jJkmhCYvbT
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-12-15-26-21(24)20(16-19-13-10-9-11-14-19)23-22(25)27-17-18(2)3/h9-11,13-14,18,20H,4-8,12,15-17H2,1-3H3,(H,23,25)
InChIKey MHHXDCZIUUTDSO-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dvnvKAP5me
Name L-Phenylalanine, N-isobutoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-12-15-26-21(24)20(16-19-13-10-9-11-14-19)23-22(25)27-17-18(2)3/h9-11,13-14,18,20H,4-8,12,15-17H2,1-3H3,(H,23,25)
InChIKey MHHXDCZIUUTDSO-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CC(C)COC(NC(C(OCCCCCCCC)=O)CC1=CC=CC=C1)=O