| SpectraBase Compound ID | 4rJVWCdNsDR |
|---|---|
| InChI | InChI=1S/C12H24S/c1-4-6-8-9-10-12(3)13-11-7-5-2/h3-11H2,1-2H3 |
| InChIKey | KITYVDDPHQMVGR-UHFFFAOYSA-N |
| Mol Weight | 200.38 g/mol |
| Molecular Formula | C12H24S |
| Exact Mass | 200.159872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ctqkT0RVng |
|---|---|
| Name | 2-(Butylthio)-1-octene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.159871947 u |
| Formula | C12H24S |
| InChI | InChI=1S/C12H24S/c1-4-6-8-9-10-12(3)13-11-7-5-2/h3-11H2,1-2H3 |
| InChIKey | KITYVDDPHQMVGR-UHFFFAOYSA-N |
| Molecular Weight | 200.384 g/mol |
| SMILES | C(=C)(SCCCC)CCCCCC |