![3-Thiatricyclo[3.3.0.0(6,8)]octane 3,3-dioxide](/api/spectrum/7V94srak4D5/structure.png?h=300&w=458 "3-Thiatricyclo[3.3.0.0(6,8)]octane 3,3-dioxide")
| SpectraBase Compound ID | C3yyMEogaVi |
|---|---|
| InChI | InChI=1S/C7H10O2S/c8-10(9)2-6-4-1-5(4)7(6)3-10/h4-7H,1-3H2 |
| InChIKey | NOAQGVIFOREOCH-UHFFFAOYSA-N |
| Mol Weight | 158.21 g/mol |
| Molecular Formula | C7H10O2S |
| Exact Mass | 158.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7V94srak4D5 |
|---|---|
| Name | 3-Thiatricyclo[3.3.0.0(6,8)]octane 3,3-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.040150734 u |
| Formula | C7H10O2S |
| InChI | InChI=1S/C7H10O2S/c8-10(9)2-6-4-1-5(4)7(6)3-10/h4-7H,1-3H2 |
| InChIKey | NOAQGVIFOREOCH-UHFFFAOYSA-N |
| Molecular Weight | 158.215 g/mol |
| SMILES | C12C(C2)C2C1CS(=O)(=O)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945174 |