| SpectraBase Compound ID | Fsn3sr0X0J7 |
|---|---|
| InChI | InChI=1S/C6H3Cl4NO2S/c7-2-1-3(14(10,12)13)4(8)5(9)6(2)11/h1H,11H2 |
| InChIKey | MPPKVNHSIWUZPD-UHFFFAOYSA-N |
| Mol Weight | 295.0 g/mol |
| Molecular Formula | C6H3Cl4NO2S |
| Exact Mass | 292.86386 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4iyjxgMojaf |
|---|---|
| Name | 2,3,5-Trichlorosulfanilyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.863860313 u |
| Formula | C6H3Cl4NO2S |
| InChI | InChI=1S/C6H3Cl4NO2S/c7-2-1-3(14(10,12)13)4(8)5(9)6(2)11/h1H,11H2 |
| InChIKey | MPPKVNHSIWUZPD-UHFFFAOYSA-N |
| SMILES | NC=1C(=C(C(=CC1Cl)S(=O)(=O)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.902394 |