| SpectraBase Compound ID | 6j87kIPoG9S |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3 |
| InChIKey | SJELLOBJQJSXPZ-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gk5M3E6lNsC |
|---|---|
| Name | 2-Chloropropionic acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3 |
| InChIKey | SJELLOBJQJSXPZ-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OC(C(Cl)C)=O |