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L-Phenylalanine, N-propoxycarbonyl-, propyl ester

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L-Phenylalanine, N-propoxycarbonyl-, propyl ester
SpectraBase Compound ID 7sWVOhczPF6
InChI InChI=1S/C16H23NO4/c1-3-10-20-15(18)14(17-16(19)21-11-4-2)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,19)
InChIKey LQWFBJLMGJDJAP-UHFFFAOYSA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9k0R1iipHr0
Name L-Phenylalanine, N-propoxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.162708221 u
Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-3-10-20-15(18)14(17-16(19)21-11-4-2)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,19)
InChIKey LQWFBJLMGJDJAP-UHFFFAOYSA-N
SMILES CCCOC(NC(C(OCCC)=O)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975958