![8-N-Hexyl-cis-7-thiabicyclo[4.3.0]nonane](/api/spectrum/9MrqL0sXzGs/structure.png?h=300&w=458 "8-N-Hexyl-cis-7-thiabicyclo[4.3.0]nonane")
| SpectraBase Compound ID | EeWqvSoTP44 |
|---|---|
| InChI | InChI=1S/C14H26S/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h12-14H,2-11H2,1H3 |
| InChIKey | HACZKWODVXEAFU-UHFFFAOYSA-N |
| Mol Weight | 226.42 g/mol |
| Molecular Formula | C14H26S |
| Exact Mass | 226.175522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9MrqL0sXzGs |
|---|---|
| Name | 8-N-Hexyl-cis-7-thiabicyclo[4.3.0]nonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.175522011 u |
| Formula | C14H26S |
| InChI | InChI=1S/C14H26S/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h12-14H,2-11H2,1H3 |
| InChIKey | HACZKWODVXEAFU-UHFFFAOYSA-N |
| Molecular Weight | 226.422 g/mol |
| SMILES | C1CCCC2C1CC(S2)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812231 |