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L-Alanine, N-butoxycarbonyl-, hexadecyl ester

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

L-Alanine, N-butoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID KqYgaanFkRK
InChI InChI=1S/C24H47NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-28-23(26)22(3)25-24(27)29-20-7-5-2/h22H,4-21H2,1-3H3,(H,25,27)
InChIKey HBZYMZNZFCEUHE-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C24H47NO4
Exact Mass 413.350509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3RrLHNsTC4u
Name L-Alanine, N-butoxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-28-23(26)22(3)25-24(27)29-20-7-5-2/h22H,4-21H2,1-3H3,(H,25,27)
InChIKey HBZYMZNZFCEUHE-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES CCCCOC(=O)NC(C)C(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900939