| SpectraBase Compound ID | FkjrB31Gg0j |
|---|---|
| InChI | InChI=1S/C12H13FO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-5,8,12H,6-7H2,1H3/t8-,12-/m1/s1 |
| InChIKey | CURHIHWLZVMTAH-PRHODGIISA-N |
| Mol Weight | 208.23 g/mol |
| Molecular Formula | C12H13FO2 |
| Exact Mass | 208.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGa0bmK9ZA4 |
|---|---|
| Name | (2R,6R)-2-(4-Fluoro-phenyl)-6-methyl-tetrahydro-pyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.089957820 u |
| Formula | C12H13FO2 |
| InChI | InChI=1S/C12H13FO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-5,8,12H,6-7H2,1H3/t8-,12-/m1/s1 |
| InChIKey | CURHIHWLZVMTAH-PRHODGIISA-N |
| Molecular Weight | 208.232 g/mol |
| SMILES | [C@@]1(O[C@@](CC(C1)=O)(C)[H])(C=1C=CC(=CC1)F)[H] |