| SpectraBase Compound ID | Gw1ETvJPaLZ |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | VAJCQZBNDWEQRU-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C9H8Cl2O2 |
| Exact Mass | 217.990135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LVMtAoxigX |
|---|---|
| Name | Dichloroacetic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.990134896 u |
| Formula | C9H8Cl2O2 |
| InChI | InChI=1S/C9H8Cl2O2/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | VAJCQZBNDWEQRU-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C(Cl)(Cl)C(=O)OCC1=CC=CC=C1 |