| SpectraBase Compound ID | 6lqN3enrEWi |
|---|---|
| InChI | InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | ICUICNRYLHKQGS-UHFFFAOYSA-N |
| Mol Weight | 225.46 g/mol |
| Molecular Formula | C7H3Cl3O2 |
| Exact Mass | 223.919862 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4c7JUrOeD7A |
|---|---|
| Name | 3,4,5-Trichlorobenzoic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.919862435 u |
| Formula | C7H3Cl3O2 |
| InChI | InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | ICUICNRYLHKQGS-UHFFFAOYSA-N |
| Molecular Weight | 225.458 g/mol |
| SMILES | C(O)(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948972 |