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N-(N-Carboxy-3-phenyl-dl-alanyl)glycine, N-benzyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

N-(N-Carboxy-3-phenyl-dl-alanyl)glycine, N-benzyl ester
SpectraBase Compound ID 2VO0CLgUTgP
InChI InChI=1S/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKey OEIUAJRTESSOCC-UHFFFAOYSA-N
Mol Weight 356.38 g/mol
Molecular Formula C19H20N2O5
Exact Mass 356.137222 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9tf7IUdoiub
Name N-(N-Carboxy-3-phenyl-dl-alanyl)glycine, N-benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.137221747 u
Formula C19H20N2O5
InChI InChI=1S/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKey OEIUAJRTESSOCC-UHFFFAOYSA-N
SMILES OC(CNC(C(CC=1C=CC=CC1)NC(OCC=1C=CC=CC1)=O)=O)=O
Spectrum/Structure Validation Score (Raman) 0.974829