![4-N-Propyl-3-thiabicyclo[4.4.0]decane](/api/spectrum/1dHos4Oi5tI/structure.png?h=300&w=458 "4-N-Propyl-3-thiabicyclo[4.4.0]decane")
| SpectraBase Compound ID | GKtX92nAJvh |
|---|---|
| InChI | InChI=1S/C12H22S/c1-2-5-12-8-10-6-3-4-7-11(10)9-13-12/h10-12H,2-9H2,1H3 |
| InChIKey | XPTZVYADZDBPHL-UHFFFAOYSA-N |
| Mol Weight | 198.37 g/mol |
| Molecular Formula | C12H22S |
| Exact Mass | 198.144222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dHos4Oi5tI |
|---|---|
| Name | 4-N-Propyl-3-thiabicyclo[4.4.0]decane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.144221882 u |
| Formula | C12H22S |
| InChI | InChI=1S/C12H22S/c1-2-5-12-8-10-6-3-4-7-11(10)9-13-12/h10-12H,2-9H2,1H3 |
| InChIKey | XPTZVYADZDBPHL-UHFFFAOYSA-N |
| Molecular Weight | 198.368 g/mol |
| SMILES | C12CCCCC2CC(SC1)CCC |