| SpectraBase Compound ID | Bc9gBP2v9l9 |
|---|---|
| InChI | InChI=1S/C8H8Cl2S/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3 |
| InChIKey | OCLSIUYYVUQKDI-UHFFFAOYSA-N |
| Mol Weight | 207.12 g/mol |
| Molecular Formula | C8H8Cl2S |
| Exact Mass | 205.972377 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A3Z8NpFO3qz |
|---|---|
| Name | 2,6-Dichlorophenyl ethyl sulphide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.972376832 u |
| Formula | C8H8Cl2S |
| InChI | InChI=1S/C8H8Cl2S/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3 |
| InChIKey | OCLSIUYYVUQKDI-UHFFFAOYSA-N |
| Molecular Weight | 207.118 g/mol |
| SMILES | C1(=C(C(=CC=C1)Cl)SCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928428 |