| SpectraBase Compound ID | CwrOiwKB4K0 |
|---|---|
| InChI | InChI=1S/C10H20OS/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 |
| InChIKey | CDXPXZLNMUTOBE-UHFFFAOYSA-N |
| Mol Weight | 188.33 g/mol |
| Molecular Formula | C10H20OS |
| Exact Mass | 188.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WdaVKKRA7I |
|---|---|
| Name | 3-Octanethiol, thiolacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.123486437 u |
| Formula | C10H20OS |
| InChI | InChI=1S/C10H20OS/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 |
| InChIKey | CDXPXZLNMUTOBE-UHFFFAOYSA-N |
| Molecular Weight | 188.329 g/mol |
| SMILES | CCC(CCCCC)SC(C)=O |