![3-oxa-7-Thiatricyclo-[3.3.0.-(2.4)]-OCTANE_7,7-dioxide](/api/spectrum/JyTe5iqRNt2/structure.png?h=300&w=458 "3-oxa-7-Thiatricyclo-[3.3.0.-(2.4)]-OCTANE_7,7-dioxide")
| SpectraBase Compound ID | 3MvdRXuwp1O |
|---|---|
| InChI | InChI=1S/C6H8O3S/c7-10(8)1-3-4(2-10)6-5(3)9-6/h3-6H,1-2H2 |
| InChIKey | YTRWOQJYTYSJGD-UHFFFAOYSA-N |
| Mol Weight | 160.19 g/mol |
| Molecular Formula | C6H8O3S |
| Exact Mass | 160.019415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JyTe5iqRNt2 |
|---|---|
| Name | 3-oxa-7-Thiatricyclo-[3.3.0.-(2.4)]-OCTANE_7,7-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.019415289 u |
| Formula | C6H8O3S |
| InChI | InChI=1S/C6H8O3S/c7-10(8)1-3-4(2-10)6-5(3)9-6/h3-6H,1-2H2 |
| InChIKey | YTRWOQJYTYSJGD-UHFFFAOYSA-N |
| Molecular Weight | 160.187 g/mol |
| SMILES | C12OC1C1CS(CC21)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922787 |