| SpectraBase Compound ID | BSjm4UApF9f |
|---|---|
| InChI | InChI=1S/C22H44O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h20,23H,5-19H2,1-4H3 |
| InChIKey | LUSFYXNXJWEXLR-UHFFFAOYSA-N |
| Mol Weight | 372.7 g/mol |
| Molecular Formula | C22H44O2S |
| Exact Mass | 372.306202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JuTrCy5e1a |
|---|---|
| Name | 12-Hydroxyoctadecanethioic acid, S-T-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.306201829 u |
| Formula | C22H44O2S |
| InChI | InChI=1S/C22H44O2S/c1-5-6-7-14-17-20(23)18-15-12-10-8-9-11-13-16-19-21(24)25-22(2,3)4/h20,23H,5-19H2,1-4H3 |
| InChIKey | LUSFYXNXJWEXLR-UHFFFAOYSA-N |
| Molecular Weight | 372.652 g/mol |
| SMILES | C(O)(CCCCCC)CCCCCCCCCCC(SC(C)(C)C)=O |