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L-Alanine, N-octanoyl-, decyl ester

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

L-Alanine, N-octanoyl-, decyl ester
SpectraBase Compound ID 3Kbs6AnTlQL
InChI InChI=1S/C21H41NO3/c1-4-6-8-10-11-12-14-16-18-25-21(24)19(3)22-20(23)17-15-13-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,23)
InChIKey JERWRNJQLNGPFD-UHFFFAOYSA-N
Mol Weight 355.6 g/mol
Molecular Formula C21H41NO3
Exact Mass 355.308644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GizavH1VTsQ
Name L-Alanine, N-octanoyl-, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.308644181 u
Formula C21H41NO3
InChI InChI=1S/C21H41NO3/c1-4-6-8-10-11-12-14-16-18-25-21(24)19(3)22-20(23)17-15-13-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,23)
InChIKey JERWRNJQLNGPFD-UHFFFAOYSA-N
Molecular Weight 355.563 g/mol
SMILES CCCCCCCC(NC(C)C(OCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9752