| SpectraBase Compound ID | 5wvMSQ51fT |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c1-5-3-7(10)9(8(11)4-5)13-6(2)12/h3-4H,1-2H3 |
| InChIKey | BUSGFBYJYVPPGC-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 | FZRxpOxQblT |
|---|---|
| Name | 2,6-Dichloro-4-methylphenol, acetate |
| 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/c1-5-3-7(10)9(8(11)4-5)13-6(2)12/h3-4H,1-2H3 |
| InChIKey | BUSGFBYJYVPPGC-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C1(OC(C)=O)=C(Cl)C=C(C=C1Cl)C |