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N-Acetyl-L-phenylalanine ethyl ester

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

N-Acetyl-L-phenylalanine ethyl ester
SpectraBase Compound ID JQVDDJGnmfv
InChI InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKey YIVZYFDBEPMPNL-LBPRGKRZSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7uTQ1x6mK7Y
Name N-Acetyl-L-phenylalanine ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKey YIVZYFDBEPMPNL-LBPRGKRZSA-N
Molecular Weight 235.283 g/mol
SMILES CCOC(=O)[C@@](NC(=O)C)(CC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901489