| SpectraBase Spectrum ID |
F3ZylVyKLcw |
| Name |
2- Chloropropionic acid, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.279508258 u |
| Formula |
C21H41ClO2 |
| InChI |
InChI=1S/C21H41ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20H,3-19H2,1-2H3 |
| InChIKey |
YQCZLISEEYFBDQ-UHFFFAOYSA-N |
| Molecular Weight |
361.010 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCCCCC)C(C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969435 |
