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Pentanoic acid, 2-(2-benzyloxycarbonylaminoacetylamino)-4-methyl-, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Pentanoic acid, 2-(2-benzyloxycarbonylaminoacetylamino)-4-methyl-, methyl ester
SpectraBase Compound ID 8m9vBo6Xgry
InChI InChI=1S/C17H24N2O5/c1-12(2)9-14(16(21)23-3)19-15(20)10-18-17(22)24-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,22)(H,19,20)
InChIKey OEYWPUUDXGMLIK-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C17H24N2O5
Exact Mass 336.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DR45SE5Ls8
Name Pentanoic acid, 2-(2-benzyloxycarbonylaminoacetylamino)-4-methyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.168521876 u
Formula C17H24N2O5
InChI InChI=1S/C17H24N2O5/c1-12(2)9-14(16(21)23-3)19-15(20)10-18-17(22)24-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,22)(H,19,20)
InChIKey OEYWPUUDXGMLIK-UHFFFAOYSA-N
Molecular Weight 336.388 g/mol
SMILES C(NCC(NC(C(=O)OC)CC(C)C)=O)(=O)OCC1=CC=CC=C1