| SpectraBase Compound ID | 7mx4dDTGyzU |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c1-6-3-2-4-7(5-6)13-9(12)8(10)11/h2-5,8H,1H3 |
| InChIKey | PIRXAVOHMRJPRX-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 | L1TvspHBrmL |
|---|---|
| Name | Dichloroacetic acid, 3-methylphenyl 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/c1-6-3-2-4-7(5-6)13-9(12)8(10)11/h2-5,8H,1H3 |
| InChIKey | PIRXAVOHMRJPRX-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C1=C(C=CC=C1C)OC(C(Cl)Cl)=O |