![5,5-Dichloro-2,2-dimethyl[1,3]dioxane-4,6-dione](/api/spectrum/HcoI80GRYSY/structure.png?h=300&w=458 "5,5-Dichloro-2,2-dimethyl[1,3]dioxane-4,6-dione")
| SpectraBase Compound ID | 143qpgMLfFX |
|---|---|
| InChI | InChI=1S/C6H6Cl2O4/c1-5(2)11-3(9)6(7,8)4(10)12-5/h1-2H3 |
| InChIKey | ZAEBZFNVMNVWES-UHFFFAOYSA-N |
| Mol Weight | 213.02 g/mol |
| Molecular Formula | C6H6Cl2O4 |
| Exact Mass | 211.964314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HcoI80GRYSY |
|---|---|
| Name | 5,5-Dichloro-2,2-dimethyl[1,3]dioxane-4,6-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.964314069 u |
| Formula | C6H6Cl2O4 |
| InChI | InChI=1S/C6H6Cl2O4/c1-5(2)11-3(9)6(7,8)4(10)12-5/h1-2H3 |
| InChIKey | ZAEBZFNVMNVWES-UHFFFAOYSA-N |
| Molecular Weight | 213.016 g/mol |
| SMILES | C1(=O)OC(C)(OC(C1(Cl)Cl)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989709 |