| SpectraBase Compound ID | 9o49WBYC7FH |
|---|---|
| InChI | InChI=1S/C18H35FO2S/c1-21-18(20)14-10-6-3-2-4-8-12-16-22-17-13-9-5-7-11-15-19/h2-17H2,1H3 |
| InChIKey | KITFFNIWUGUCLL-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 | 4b68TT6fOj7 |
|---|---|
| Name | Methyl 18-fluoro-11-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)14-10-6-3-2-4-8-12-16-22-17-13-9-5-7-11-15-19/h2-17H2,1H3 |
| InChIKey | KITFFNIWUGUCLL-UHFFFAOYSA-N |
| Molecular Weight | 334.534 g/mol |
| SMILES | C(CCCCCCCCCSCCCCCCCF)(=O)OC |