| SpectraBase Compound ID | IvEKwOxLTZG |
|---|---|
| InChI | InChI=1S/C7H5Cl3O2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H,1H3 |
| InChIKey | ADPSWGPDSRWGHE-UHFFFAOYSA-N |
| Mol Weight | 227.47 g/mol |
| Molecular Formula | C7H5Cl3O2 |
| Exact Mass | 225.935512 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1aMdQYYraXe |
|---|---|
| Name | 2,4,6-Trichloro-5-methyl-benzene-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.935512499 u |
| Formula | C7H5Cl3O2 |
| InChI | InChI=1S/C7H5Cl3O2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H,1H3 |
| InChIKey | ADPSWGPDSRWGHE-UHFFFAOYSA-N |
| Molecular Weight | 227.474 g/mol |
| SMILES | C=1(C(=C(C(=C(C1Cl)C)Cl)O)Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831199 |