| SpectraBase Compound ID | 4pSdJmDOWRS |
|---|---|
| InChI | InChI=1S/C10H22S/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | UPCYJFLLXDWUOE-UHFFFAOYSA-N |
| Mol Weight | 174.35 g/mol |
| Molecular Formula | C10H22S |
| Exact Mass | 174.144222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBI6WBKpLR7 |
|---|---|
| Name | 3-Decanethiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.144221882 u |
| Formula | C10H22S |
| InChI | InChI=1S/C10H22S/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | UPCYJFLLXDWUOE-UHFFFAOYSA-N |
| Molecular Weight | 174.346 g/mol |
| SMILES | C(CCCCCC)C(CC)S |