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L-Alanine, N-methoxycarbonyl-, pentyl ester

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

L-Alanine, N-methoxycarbonyl-, pentyl ester
SpectraBase Compound ID 4Tp6NpoEx0n
InChI InChI=1S/C10H19NO4/c1-4-5-6-7-15-9(12)8(2)11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey GYKMJGFPFBKBHX-UHFFFAOYSA-N
Mol Weight 217.26 g/mol
Molecular Formula C10H19NO4
Exact Mass 217.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID hoZyAhXdkL
Name L-Alanine, N-methoxycarbonyl-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.131408092 u
Formula C10H19NO4
InChI InChI=1S/C10H19NO4/c1-4-5-6-7-15-9(12)8(2)11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey GYKMJGFPFBKBHX-UHFFFAOYSA-N
Molecular Weight 217.265 g/mol
SMILES COC(=O)NC(C)C(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931307