| SpectraBase Spectrum ID |
6oHmjk19Prb |
| Name |
Alanine, N-methyl-N-ethoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-24(27)23(3)26(4)25(28)29-6-2/h23H,5-22H2,1-4H3 |
| InChIKey |
RKWXWRHADQHLOJ-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CCOC(N(C(C(OCCCCCCCCCCCCCCCCCC)=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912987 |
