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L-Proline, N-ethoxycarbonyl-, octadecyl ester

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

L-Proline, N-ethoxycarbonyl-, octadecyl ester
SpectraBase Compound ID 8NZ0t41oH8k
InChI InChI=1S/C26H49NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-25(28)24-21-20-22-27(24)26(29)30-4-2/h24H,3-23H2,1-2H3
InChIKey GRFBXJJZEXUUOT-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C1ZUieA5RLZ
Name L-Proline, N-ethoxycarbonyl-, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-25(28)24-21-20-22-27(24)26(29)30-4-2/h24H,3-23H2,1-2H3
InChIKey GRFBXJJZEXUUOT-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1(N(CCC1)C(=O)OCC)C(OCCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882148