| SpectraBase Compound ID | 5V8CH5MgD7q |
|---|---|
| InChI | InChI=1S/C17H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21(20)16-14-17(18)19/h2-16H2,1H3,(H,18,19) |
| InChIKey | OQJBHWXNMJAZMI-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C17H34O3S |
| Exact Mass | 318.222866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 547WE6XlsVf |
|---|---|
| Name | 3-(Tetradecylsulfinyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.222866126 u |
| Formula | C17H34O3S |
| InChI | InChI=1S/C17H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21(20)16-14-17(18)19/h2-16H2,1H3,(H,18,19) |
| InChIKey | OQJBHWXNMJAZMI-UHFFFAOYSA-N |
| Molecular Weight | 318.516 g/mol |
| SMILES | C(CCS(=O)CCCCCCCCCCCCCC)(=O)O |