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L-Allylglycine, N-isobutoxycarbonyl-, hexadecyl ester

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

L-Allylglycine, N-isobutoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 2czWrSLERkW
InChI InChI=1S/C26H49NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-25(28)24(20-6-2)27-26(29)31-22-23(3)4/h6,23-24H,2,5,7-22H2,1,3-4H3,(H,27,29)
InChIKey HFQLZPOEFUMUNT-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 3aFCf8OJRUr
Name L-Allylglycine, N-isobutoxycarbonyl-, hexadecyl 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/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-25(28)24(20-6-2)27-26(29)31-22-23(3)4/h6,23-24H,2,5,7-22H2,1,3-4H3,(H,27,29)
InChIKey HFQLZPOEFUMUNT-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C(CCCCCOC(C(NC(OCC(C)C)=O)CC=C)=O)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907754