![Butane, 4-chloro-1-(methylthio)-1-[[(methylthio)methyl]thio]-](/api/spectrum/FGrdzgsuBD3/structure.png?h=300&w=458 "Butane, 4-chloro-1-(methylthio)-1-[[(methylthio)methyl]thio]-")
| SpectraBase Compound ID | ClypfyHC3MN |
|---|---|
| InChI | InChI=1S/C7H15ClS3/c1-9-6-11-7(10-2)4-3-5-8/h7H,3-6H2,1-2H3 |
| InChIKey | YWSXBJJQHCPPEB-UHFFFAOYSA-N |
| Mol Weight | 230.83 g/mol |
| Molecular Formula | C7H15ClS3 |
| Exact Mass | 230.002442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FGrdzgsuBD3 |
|---|---|
| Name | Butane, 4-chloro-1-(methylthio)-1-[[(methylthio)methyl]thio]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.002441705 u |
| Formula | C7H15ClS3 |
| InChI | InChI=1S/C7H15ClS3/c1-9-6-11-7(10-2)4-3-5-8/h7H,3-6H2,1-2H3 |
| InChIKey | YWSXBJJQHCPPEB-UHFFFAOYSA-N |
| Molecular Weight | 230.830 g/mol |
| SMILES | C(SCSC)(SC)CCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892475 |