| SpectraBase Compound ID | Bu88CTPC7md |
|---|---|
| InChI | InChI=1S/C8H6Cl2O3/c9-7(10)8(12)13-6-3-1-2-5(11)4-6/h1-4,7,11H |
| InChIKey | GFBVXRHUGJLSEA-UHFFFAOYSA-N |
| Mol Weight | 221.04 g/mol |
| Molecular Formula | C8H6Cl2O3 |
| Exact Mass | 219.969399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMZOgPqyHpz |
|---|---|
| Name | 1,3-Benzenediol, o-dichloroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.969399450 u |
| Formula | C8H6Cl2O3 |
| InChI | InChI=1S/C8H6Cl2O3/c9-7(10)8(12)13-6-3-1-2-5(11)4-6/h1-4,7,11H |
| InChIKey | GFBVXRHUGJLSEA-UHFFFAOYSA-N |
| Molecular Weight | 221.039 g/mol |
| SMILES | C1(=CC=CC(=C1)O)OC(C(Cl)Cl)=O |