| SpectraBase Compound ID | J1e5wNba3Va |
|---|---|
| InChI | InChI=1S/C9H8Cl2O3/c1-13-8(12)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3 |
| InChIKey | BCPPNSKJFSXSAU-UHFFFAOYSA-N |
| Mol Weight | 235.07 g/mol |
| Molecular Formula | C9H8Cl2O3 |
| Exact Mass | 233.98505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | f62soAD2hY |
|---|---|
| Name | 2,6-D Methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.985049515 u |
| Formula | C9H8Cl2O3 |
| InChI | InChI=1S/C9H8Cl2O3/c1-13-8(12)5-14-9-6(10)3-2-4-7(9)11/h2-4H,5H2,1H3 |
| InChIKey | BCPPNSKJFSXSAU-UHFFFAOYSA-N |
| Molecular Weight | 235.066 g/mol |
| SMILES | C(OC1=C(Cl)C=CC=C1Cl)C(OC)=O |