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L-Phenylalanine, N-allyloxycarbonyl-, propyl ester

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

L-Phenylalanine, N-allyloxycarbonyl-, propyl ester
SpectraBase Compound ID 973TQCPetED
InChI InChI=1S/C16H21NO4/c1-3-10-20-15(18)14(17-16(19)21-11-4-2)12-13-8-6-5-7-9-13/h4-9,14H,2-3,10-12H2,1H3,(H,17,19)
InChIKey NWZDQWSCWVEZDZ-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G0oQI1uaRNP
Name L-Phenylalanine, N-allyloxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.147058156 u
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-3-10-20-15(18)14(17-16(19)21-11-4-2)12-13-8-6-5-7-9-13/h4-9,14H,2-3,10-12H2,1H3,(H,17,19)
InChIKey NWZDQWSCWVEZDZ-UHFFFAOYSA-N
SMILES C=CCOC(NC(C(OCCC)=O)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966125