| SpectraBase Compound ID | KYyF6gS88Rw |
|---|---|
| InChI | InChI=1S/C6H12S4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3 |
| InChIKey | HPCHLHDVTKXEBV-UHFFFAOYSA-N |
| Mol Weight | 212.4 g/mol |
| Molecular Formula | C6H12S4 |
| Exact Mass | 211.982185 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Aw2V0ZfAXI |
|---|---|
| Name | Methyl 3,3-bis(methylsulfanyl)propanedithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.982185082 u |
| Formula | C6H12S4 |
| InChI | InChI=1S/C6H12S4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3 |
| InChIKey | HPCHLHDVTKXEBV-UHFFFAOYSA-N |
| SMILES | C(CC(SC)SC)(=S)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912941 |