| SpectraBase Spectrum ID |
HwG6Kk8n4G8 |
| Name |
L-Alanine, N-propoxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.319208865 u |
| Formula |
C22H43NO4 |
| InChI |
InChI=1S/C22H43NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20(3)23-22(25)27-18-5-2/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey |
KZHKNRHADKTCII-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
CCCOC(NC(C(OCCCCCCCCCCCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802187 |
