| SpectraBase Compound ID | 1NaGz60uWFK |
|---|---|
| InChI | InChI=1S/C7H12Cl2O/c1-7(2,3)6(10)5(9)4-8/h5H,4H2,1-3H3 |
| InChIKey | ACGBPXPBKKSYSO-UHFFFAOYSA-N |
| Mol Weight | 183.08 g/mol |
| Molecular Formula | C7H12Cl2O |
| Exact Mass | 182.02652 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8rcbpBrUbDD |
|---|---|
| Name | 1,2-Dichloro-4,4-dimethylpentane-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.026520405 u |
| Formula | C7H12Cl2O |
| InChI | InChI=1S/C7H12Cl2O/c1-7(2,3)6(10)5(9)4-8/h5H,4H2,1-3H3 |
| InChIKey | ACGBPXPBKKSYSO-UHFFFAOYSA-N |
| Molecular Weight | 183.078 g/mol |
| SMILES | C(C(C(C(C)(C)C)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808299 |