| SpectraBase Compound ID | E7B93fsF68k |
|---|---|
| InChI | InChI=1S/C8H12Cl2O3/c1-8(2,4-6(12)13)3-5(11)7(9)10/h7H,3-4H2,1-2H3,(H,12,13) |
| InChIKey | WHJBVCURYKJZSQ-UHFFFAOYSA-N |
| Mol Weight | 227.09 g/mol |
| Molecular Formula | C8H12Cl2O3 |
| Exact Mass | 226.01635 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BfopmSLzK18 |
|---|---|
| Name | 6,6-Dichloro-3,3-dimethyl-5-oxohexanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.016349643 u |
| Formula | C8H12Cl2O3 |
| InChI | InChI=1S/C8H12Cl2O3/c1-8(2,4-6(12)13)3-5(11)7(9)10/h7H,3-4H2,1-2H3,(H,12,13) |
| InChIKey | WHJBVCURYKJZSQ-UHFFFAOYSA-N |
| SMILES | OC(CC(CC(C(Cl)Cl)=O)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969406 |