| SpectraBase Compound ID | CyOrDsKDG28 |
|---|---|
| InChI | InChI=1S/C18H35FO2S/c1-21-18(20)14-10-6-5-9-13-17-22-16-12-8-4-2-3-7-11-15-19/h2-17H2,1H3 |
| InChIKey | CSMADYPAYYRXOX-UHFFFAOYSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C18H35FO2S |
| Exact Mass | 334.23418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HS30FnQUVMP |
|---|---|
| Name | Methyl_18-fluoro-9-thiastearate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.234179702 u |
| Formula | C18H35FO2S |
| InChI | InChI=1S/C18H35FO2S/c1-21-18(20)14-10-6-5-9-13-17-22-16-12-8-4-2-3-7-11-15-19/h2-17H2,1H3 |
| InChIKey | CSMADYPAYYRXOX-UHFFFAOYSA-N |
| Molecular Weight | 334.534 g/mol |
| SMILES | COC(=O)CCCCCCCSCCCCCCCCCF |