| SpectraBase Spectrum ID |
Ahj1p8JshBG |
| Name |
2,2-Dimethylpropionic acid, 4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.076057421 u |
| Formula |
C12H15ClO2 |
| InChI |
InChI=1S/C12H15ClO2/c1-12(2,3)11(14)15-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey |
DVMMTQGSFHJBBJ-UHFFFAOYSA-N |
| Molecular Weight |
226.703 g/mol |
| SMILES |
CC(C)(C)C(=O)OCC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875279 |
