| SpectraBase Compound ID | LjDB6jCftmc |
|---|---|
| InChI | InChI=1S/C6H9Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3 |
| InChIKey | RZSBEAZIKBJBBY-UHFFFAOYSA-N |
| Mol Weight | 235.49 g/mol |
| Molecular Formula | C6H9Cl3O3 |
| Exact Mass | 233.961727 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GHpoIqFzYDt |
|---|---|
| Name | 3-Hydroxy-4,4,4-trichlorobutyric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.961727247 u |
| Formula | C6H9Cl3O3 |
| InChI | InChI=1S/C6H9Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3 |
| InChIKey | RZSBEAZIKBJBBY-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C(CC(OCC)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.975417 |