![7-Thiabicyclo[4.2.1]nonane](/api/spectrum/2cOj0JhWZxz/structure.png?h=300&w=458 "7-Thiabicyclo[4.2.1]nonane")
| SpectraBase Compound ID | 1InBTUBUuQw |
|---|---|
| InChI | InChI=1S/C8H14S/c1-2-4-8-5-7(3-1)6-9-8/h7-8H,1-6H2/t7-,8-/m1/s1 |
| InChIKey | HERRPGYNQUPLMN-HTQZYQBOSA-N |
| Mol Weight | 142.26 g/mol |
| Molecular Formula | C8H14S |
| Exact Mass | 142.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2cOj0JhWZxz |
|---|---|
| Name | 7-Thiabicyclo[4.2.1]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/c1-2-4-8-5-7(3-1)6-9-8/h7-8H,1-6H2/t7-,8-/m1/s1 |
| InChIKey | HERRPGYNQUPLMN-HTQZYQBOSA-N |
| Molecular Weight | 142.260 g/mol |
| SMILES | [C@]12(C[C@@](CCCC2)(SC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925215 |