| SpectraBase Compound ID | 5qnlWnrI7YA |
|---|---|
| InChI | InChI=1S/C23H44O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-23(25)21(2)22(24)26-3/h21H,4-20H2,1-3H3 |
| InChIKey | YASRPPRAGKNMAL-UHFFFAOYSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C23H44O3S |
| Exact Mass | 400.301116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Uvuv8NpMga |
|---|---|
| Name | Methyl 2-methyl-3-(octadecylthio)-3-oxopropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.301116448 u |
| Formula | C23H44O3S |
| InChI | InChI=1S/C23H44O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-23(25)21(2)22(24)26-3/h21H,4-20H2,1-3H3 |
| InChIKey | YASRPPRAGKNMAL-UHFFFAOYSA-N |
| Molecular Weight | 400.662 g/mol |
| SMILES | C(C(=O)SCCCCCCCCCCCCCCCCCC)(C(=O)OC)C |