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L-Alanine, N-octanoyl-, propyl ester

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L-Alanine, N-octanoyl-, propyl ester
SpectraBase Compound ID 96oXhCzYZIo
InChI InChI=1S/C14H27NO3/c1-4-6-7-8-9-10-13(16)15-12(3)14(17)18-11-5-2/h12H,4-11H2,1-3H3,(H,15,16)
InChIKey AOLHEPAYQXANGQ-UHFFFAOYSA-N
Mol Weight 257.37 g/mol
Molecular Formula C14H27NO3
Exact Mass 257.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IWkO0C2OGQy
Name L-Alanine, N-octanoyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.199093730 u
Formula C14H27NO3
InChI InChI=1S/C14H27NO3/c1-4-6-7-8-9-10-13(16)15-12(3)14(17)18-11-5-2/h12H,4-11H2,1-3H3,(H,15,16)
InChIKey AOLHEPAYQXANGQ-UHFFFAOYSA-N
Molecular Weight 257.374 g/mol
SMILES CCCCCCCC(NC(C(OCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958377