| SpectraBase Compound ID | 7hlFkSvmJS7 |
|---|---|
| InChI | InChI=1S/C6H3Cl3S/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H |
| InChIKey | VHUYFTLLFNDZPS-UHFFFAOYSA-N |
| Mol Weight | 213.51 g/mol |
| Molecular Formula | C6H3Cl3S |
| Exact Mass | 211.902104 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 32WLaB3dEy1 |
|---|---|
| Name | Lindane-m (trichlorothiophenol) P437 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.902104371 u |
| Formula | C6H3Cl3S |
| InChI | InChI=1S/C6H3Cl3S/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H |
| InChIKey | VHUYFTLLFNDZPS-UHFFFAOYSA-N |
| SMILES | C=1C(=CC(=C(C1Cl)Cl)Cl)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811383 |