| SpectraBase Compound ID | AHXd7kfOci7 |
|---|---|
| InChI | InChI=1S/C7H13ClO2/c1-5(2)6(3)10-7(9)4-8/h5-6H,4H2,1-3H3 |
| InChIKey | YOUOQIIPGBGSJE-UHFFFAOYSA-N |
| Mol Weight | 164.63 g/mol |
| Molecular Formula | C7H13ClO2 |
| Exact Mass | 164.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWMvB64FSut |
|---|---|
| Name | Chloroacetic acid, 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.060407357 u |
| Formula | C7H13ClO2 |
| InChI | InChI=1S/C7H13ClO2/c1-5(2)6(3)10-7(9)4-8/h5-6H,4H2,1-3H3 |
| InChIKey | YOUOQIIPGBGSJE-UHFFFAOYSA-N |
| Molecular Weight | 164.632 g/mol |
| SMILES | C(C(=O)OC(C(C)C)C)Cl |