![1-[1,3]Dithian-2-ylpropan-2-ol](/api/spectrum/GiWc9uqD7DT/structure.png?h=300&w=458 "1-[1,3]Dithian-2-ylpropan-2-ol")
| SpectraBase Compound ID | KkJB21l4qF3 |
|---|---|
| InChI | InChI=1S/C7H14OS2/c1-6(8)5-7-9-3-2-4-10-7/h6-8H,2-5H2,1H3 |
| InChIKey | LRUPVPPUGNZMRJ-UHFFFAOYSA-N |
| Mol Weight | 178.31 g/mol |
| Molecular Formula | C7H14OS2 |
| Exact Mass | 178.048607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GiWc9uqD7DT |
|---|---|
| Name | 1-[1,3]Dithian-2-ylpropan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.048607418 u |
| Formula | C7H14OS2 |
| InChI | InChI=1S/C7H14OS2/c1-6(8)5-7-9-3-2-4-10-7/h6-8H,2-5H2,1H3 |
| InChIKey | LRUPVPPUGNZMRJ-UHFFFAOYSA-N |
| Molecular Weight | 178.308 g/mol |
| SMILES | C1SC(SCC1)CC(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943218 |