| SpectraBase Compound ID | 6W68sTaHHXV |
|---|---|
| InChI | InChI=1S/C18H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21)18(19)20/h17,21H,2-16H2,1H3,(H,19,20) |
| InChIKey | NTKCAHRZWRIYFH-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C18H36O2S |
| Exact Mass | 316.243602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uwkY6DMLDQ |
|---|---|
| Name | Octadecanoic acid, 2-mercapto- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.243601571 u |
| Formula | C18H36O2S |
| InChI | InChI=1S/C18H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21)18(19)20/h17,21H,2-16H2,1H3,(H,19,20) |
| InChIKey | NTKCAHRZWRIYFH-UHFFFAOYSA-N |
| Molecular Weight | 316.544 g/mol |
| SMILES | CCCCCCCCCCCCCCCCC(S)C(O)=O |