| SpectraBase Compound ID | Iqbq9gHB34n |
|---|---|
| InChI | InChI=1S/C7H14OS2/c1-7(2,8)6-9-4-3-5-10-6/h6,8H,3-5H2,1-2H3 |
| InChIKey | MOFOHAKURRTYGE-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 | DOPLOyaGhQU |
|---|---|
| Name | 2-(1-Hydroxy-1-methylethyl)-1,3-dithiane |
| 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/c1-7(2,8)6-9-4-3-5-10-6/h6,8H,3-5H2,1-2H3 |
| InChIKey | MOFOHAKURRTYGE-UHFFFAOYSA-N |
| Molecular Weight | 178.308 g/mol |
| SMILES | C1SC(SCC1)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968403 |