| SpectraBase Compound ID | GUMNk9YQQML |
|---|---|
| InChI | InChI=1S/C12H12Cl2O4/c1-7(2)11(15)17-8-4-3-5-9(6-8)18-12(16)10(13)14/h3-7,10H,1-2H3 |
| InChIKey | TXBLEKSHSYIVCK-UHFFFAOYSA-N |
| Mol Weight | 291.13 g/mol |
| Molecular Formula | C12H12Cl2O4 |
| Exact Mass | 290.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqAMtxOD98c |
|---|---|
| Name | 1,3-Benzenediol, o-dichloroacetyl-o'-isobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.011264262 u |
| Formula | C12H12Cl2O4 |
| InChI | InChI=1S/C12H12Cl2O4/c1-7(2)11(15)17-8-4-3-5-9(6-8)18-12(16)10(13)14/h3-7,10H,1-2H3 |
| InChIKey | TXBLEKSHSYIVCK-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(=C1)OC(C(C)C)=O)OC(C(Cl)Cl)=O |