| SpectraBase Compound ID | DbxrahPJDdZ |
|---|---|
| InChI | InChI=1S/C9H14Cl2O2/c1-5(2)6(12)9(3,4)7(13)8(10)11/h5,8H,1-4H3 |
| InChIKey | IHNOVENTVQSIIW-UHFFFAOYSA-N |
| Mol Weight | 225.11 g/mol |
| Molecular Formula | C9H14Cl2O2 |
| Exact Mass | 224.037085 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IWyP3xxYc9k |
|---|---|
| Name | 1,1-Dichloro-3,3,5-trimethyl-2,4-hexanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.037085089 u |
| Formula | C9H14Cl2O2 |
| InChI | InChI=1S/C9H14Cl2O2/c1-5(2)6(12)9(3,4)7(13)8(10)11/h5,8H,1-4H3 |
| InChIKey | IHNOVENTVQSIIW-UHFFFAOYSA-N |
| Molecular Weight | 225.115 g/mol |
| SMILES | C(C(C(Cl)Cl)=O)(C(=O)C(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831495 |