| SpectraBase Spectrum ID |
7jg7Nh0ILYW |
| Name |
2,2-Dimethylpropionic acid, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.318480590 u |
| Formula |
C21H42O2 |
| InChI |
InChI=1S/C21H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20(22)21(2,3)4/h5-19H2,1-4H3 |
| InChIKey |
IZQGSFBPMUQBFC-UHFFFAOYSA-N |
| Molecular Weight |
326.565 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946777 |
