| SpectraBase Compound ID | 6XKAlW7LR3L |
|---|---|
| InChI | InChI=1S/C9H18OS2/c1-9(2,4-5-10)8-11-6-3-7-12-8/h8,10H,3-7H2,1-2H3 |
| InChIKey | NQBNVVPEEVLTTA-UHFFFAOYSA-N |
| Mol Weight | 206.36 g/mol |
| Molecular Formula | C9H18OS2 |
| Exact Mass | 206.079908 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | x5CGeRTZLx |
|---|---|
| Name | 3-(1,3-Dithian-2-yl)-3-methylbutan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.079907547 u |
| Formula | C9H18OS2 |
| InChI | InChI=1S/C9H18OS2/c1-9(2,4-5-10)8-11-6-3-7-12-8/h8,10H,3-7H2,1-2H3 |
| InChIKey | NQBNVVPEEVLTTA-UHFFFAOYSA-N |
| Molecular Weight | 206.362 g/mol |
| SMILES | C(O)CC(C1SCCCS1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956218 |