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L-Phenylalanine, N-ethoxycarbonyl-, propyl ester

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

L-Phenylalanine, N-ethoxycarbonyl-, propyl ester
SpectraBase Compound ID FTZYtcwpXCc
InChI InChI=1S/C15H21NO4/c1-3-10-20-14(17)13(16-15(18)19-4-2)11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)
InChIKey WMSBITCZLZIOCH-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JrJJT1SHwox
Name L-Phenylalanine, N-ethoxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.147058156 u
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-3-10-20-14(17)13(16-15(18)19-4-2)11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,18)
InChIKey WMSBITCZLZIOCH-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES CCOC(NC(C(OCCC)=O)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974705