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N-Carbobenzyloxy-L-aspartic acid, dibenzyl ester

View entire compound with spectra: 1 NMR

N-Carbobenzyloxy-L-aspartic acid, dibenzyl ester
SpectraBase Compound ID L8nZSyqE729
InChI InChI=1S/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)/t23-/m0/s1
InChIKey ZPVDKMKHRJFPMC-QHCPKHFHSA-N
Mol Weight 447.49 g/mol
Molecular Formula C26H25NO6
Exact Mass 447.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37t0ErTB89u
Name N-Carbobenzyloxy-L-aspartic acid, dibenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.168187523 u
Formula C26H25NO6
InChI InChI=1S/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)/t23-/m0/s1
InChIKey ZPVDKMKHRJFPMC-QHCPKHFHSA-N
Molecular Weight 447.487 g/mol
SMILES C(OCC1=CC=CC=C1)(C[C@@](C(OCC=1C=CC=CC1)=O)(NC(OCC1=CC=CC=C1)=O)[H])=O