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l-Alanine, N-methoxycarbonyl-, hexadecyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

l-Alanine, N-methoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 75G9tgC2KCv
InChI InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20(23)19(2)22-21(24)25-3/h19H,4-18H2,1-3H3,(H,22,24)
InChIKey NUVOBOFSPWRAQN-UHFFFAOYSA-N
Mol Weight 371.6 g/mol
Molecular Formula C21H41NO4
Exact Mass 371.303559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BcwC7k3SzDX
Name L-Alanine, N-methoxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.303558800 u
Formula C21H41NO4
InChI InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20(23)19(2)22-21(24)25-3/h19H,4-18H2,1-3H3,(H,22,24)
InChIKey NUVOBOFSPWRAQN-UHFFFAOYSA-N
Molecular Weight 371.562 g/mol
SMILES COC(=O)NC(C)C(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923401