![2-Thiabicyclo[3.2.2]nonane](/api/spectrum/LyIzuKFP741/structure.png?h=300&w=458 "2-Thiabicyclo[3.2.2]nonane")
| SpectraBase Compound ID | CPnBRXKMQhZ |
|---|---|
| InChI | InChI=1S/C8H14S/c1-3-8-4-2-7(1)5-6-9-8/h7-8H,1-6H2/t7-,8+ |
| InChIKey | IBGDHKUXWYZSEY-OCAPTIKFSA-N |
| Mol Weight | 142.26 g/mol |
| Molecular Formula | C8H14S |
| Exact Mass | 142.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LyIzuKFP741 |
|---|---|
| Name | 2-Thiabicyclo[3.2.2]nonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.081621625 u |
| Formula | C8H14S |
| InChI | InChI=1S/C8H14S/c1-3-8-4-2-7(1)5-6-9-8/h7-8H,1-6H2/t7-,8+ |
| InChIKey | IBGDHKUXWYZSEY-OCAPTIKFSA-N |
| Molecular Weight | 142.260 g/mol |
| SMILES | C1[C@]2(CC[C@@](C1)(SCC2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883061 |