| SpectraBase Compound ID | IyuDUfh9k7F |
|---|---|
| InChI | InChI=1S/C7H4Cl4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H |
| InChIKey | DGILBEZUEYPVNX-UHFFFAOYSA-N |
| Mol Weight | 229.9 g/mol |
| Molecular Formula | C7H4Cl4 |
| Exact Mass | 227.906711 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1A41yzwnB3K |
|---|---|
| Name | alpha,alpha,2,3-Tetrachlorotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.906710929 u |
| Formula | C7H4Cl4 |
| InChI | InChI=1S/C7H4Cl4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H |
| InChIKey | DGILBEZUEYPVNX-UHFFFAOYSA-N |
| Molecular Weight | 229.921 g/mol |
| SMILES | C=1C=C(C(=C(C1)Cl)Cl)C(Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.865269 |