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.beta.-Alanine, N-allyloxycarbonyl-, heptadecyl ester

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

.beta.-Alanine, N-allyloxycarbonyl-, heptadecyl ester
SpectraBase Compound ID Ha7nLqE31yB
InChI InChI=1S/C24H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-23(26)19-20-25-24(27)29-21-4-2/h4H,2-3,5-22H2,1H3,(H,25,27)
InChIKey AUHLJGCYYCNHOC-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C24H45NO4
Exact Mass 411.334859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B1jzzJnUfoD
Name .beta.-Alanine, N-allyloxycarbonyl-, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.334858929 u
Formula C24H45NO4
InChI InChI=1S/C24H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-23(26)19-20-25-24(27)29-21-4-2/h4H,2-3,5-22H2,1H3,(H,25,27)
InChIKey AUHLJGCYYCNHOC-UHFFFAOYSA-N
Molecular Weight 411.627 g/mol
SMILES C=CCOC(NCCC(OCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934523