![3-Thiabicyclo[3.3.1]nonane 3,3-dioxide](/api/spectrum/AwcYufu0kYj/structure.png?h=300&w=458 "3-Thiabicyclo[3.3.1]nonane 3,3-dioxide")
| SpectraBase Compound ID | 9miElYlrUjO |
|---|---|
| InChI | InChI=1S/C8H14O2S/c9-11(10)5-7-2-1-3-8(4-7)6-11/h7-8H,1-6H2 |
| InChIKey | JDVVJUFZDNQVGL-UHFFFAOYSA-N |
| Mol Weight | 174.26 g/mol |
| Molecular Formula | C8H14O2S |
| Exact Mass | 174.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AwcYufu0kYj |
|---|---|
| Name | 3-Thiabicyclo[3.3.1]nonane 3,3-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.071450863 u |
| Formula | C8H14O2S |
| InChI | InChI=1S/C8H14O2S/c9-11(10)5-7-2-1-3-8(4-7)6-11/h7-8H,1-6H2 |
| InChIKey | JDVVJUFZDNQVGL-UHFFFAOYSA-N |
| Molecular Weight | 174.258 g/mol |
| SMILES | C1CC2CC(C1)CS(C2)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862827 |