| SpectraBase Compound ID | I9SPDJ4JqBc |
|---|---|
| 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 |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OI7ty7BXjY |
|---|---|
| Name | 2,2-Dimethylpropionic acid, 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |