| SpectraBase Compound ID | 1KjU2cy3OA9 |
|---|---|
| InChI | InChI=1S/C14H19FOS/c1-2-3-4-8-11-13(15)14(16)17-12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3 |
| InChIKey | GKEWRNRIZCPPRK-UHFFFAOYSA-N |
| Mol Weight | 254.36 g/mol |
| Molecular Formula | C14H19FOS |
| Exact Mass | 254.114065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33P0QHvJUfF |
|---|---|
| Name | Octanethioic acid, 2-fluoro-, S-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.114064568 u |
| Formula | C14H19FOS |
| InChI | InChI=1S/C14H19FOS/c1-2-3-4-8-11-13(15)14(16)17-12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3 |
| InChIKey | GKEWRNRIZCPPRK-UHFFFAOYSA-N |
| Molecular Weight | 254.363 g/mol |
| SMILES | C(SC=1C=CC=CC1)(=O)C(F)CCCCCC |