| SpectraBase Compound ID | 7oBDmJDMOfF |
|---|---|
| InChI | InChI=1S/C18H35FO2S/c1-21-18(20)14-10-6-9-13-17-22-16-12-8-5-3-2-4-7-11-15-19/h2-17H2,1H3 |
| InChIKey | YXHDFFXYVYYANU-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 | 6V7OmK5aYeo |
|---|---|
| Name | Methyl 18-fluoro-8-thiaoctadecanoate |
| 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)14-10-6-9-13-17-22-16-12-8-5-3-2-4-7-11-15-19/h2-17H2,1H3 |
| InChIKey | YXHDFFXYVYYANU-UHFFFAOYSA-N |
| Molecular Weight | 334.534 g/mol |
| SMILES | C(CCCCCCSCCCCCCCCCCF)(=O)OC |