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L-Phenylalanine, N-methyl-N-(ethoxycarbonyl)-, ethyl ester

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L-Phenylalanine, N-methyl-N-(ethoxycarbonyl)-, ethyl ester
SpectraBase Compound ID 4qSc5UYDdtk
InChI InChI=1S/C15H21NO4/c1-4-19-14(17)13(16(3)15(18)20-5-2)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3
InChIKey QJIGDZKQSHVKPM-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 4qOnL7notRq
Name L-Phenylalanine, N-methyl-N-(ethoxycarbonyl)-, ethyl 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/c1-4-19-14(17)13(16(3)15(18)20-5-2)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3
InChIKey QJIGDZKQSHVKPM-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES C1(=CC=CC=C1)CC(C(OCC)=O)N(C)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944769