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N.alpha.-Benzyl-N-(N-propyloxycarbonyl)-D-alanine, methyl ester

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

N.alpha.-Benzyl-N-(N-propyloxycarbonyl)-D-alanine, methyl ester
SpectraBase Compound ID 6n8zPDAo1Cg
InChI InChI=1S/C15H21NO4/c1-4-10-20-15(18)16(12(2)14(17)19-3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKey ZPMBUAKCZAQWDA-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 5vOWs7avsjI
Name N.alpha.-Benzyl-N-(N-propyloxycarbonyl)-D-alanine, methyl 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/c1-4-10-20-15(18)16(12(2)14(17)19-3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKey ZPMBUAKCZAQWDA-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES C1(=CC=CC=C1)CN(C(C)C(=O)OC)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818291