| SpectraBase Compound ID | 9ouTttxpZnn |
|---|---|
| InChI | InChI=1S/C3H3Cl3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8) |
| InChIKey | RHMYEOYYPYBQCN-UHFFFAOYSA-N |
| Mol Weight | 177.41 g/mol |
| Molecular Formula | C3H3Cl3O2 |
| Exact Mass | 175.919862 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JfeEjreunG5 |
|---|---|
| Name | 3,3,3-Trichloropropionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.919862435 u |
| Formula | C3H3Cl3O2 |
| InChI | InChI=1S/C3H3Cl3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8) |
| InChIKey | RHMYEOYYPYBQCN-UHFFFAOYSA-N |
| Molecular Weight | 177.414 g/mol |
| SMILES | OC(CC(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.876108 |