| SpectraBase Spectrum ID |
8moXdsYffbs |
| Name |
dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.342836790 u |
| Formula |
C26H50ClNO4 |
| InChI |
InChI=1S/C26H50ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-25(29)24(2)28(3)26(30)32-23-20-21-27/h24H,4-23H2,1-3H3 |
| InChIKey |
AJZUYOZMCXDMLG-UHFFFAOYSA-N |
| Molecular Weight |
476.142 g/mol |
| SMILES |
CC(N(C)C(=O)OCCCCl)C(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893247 |
