| SpectraBase Compound ID | HfOoskJXVWr |
|---|---|
| InChI | InChI=1S/C13H15FO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2 |
| InChIKey | BPKDIJPHXUCVAY-UHFFFAOYSA-N |
| Mol Weight | 222.26 g/mol |
| Molecular Formula | C13H15FO2 |
| Exact Mass | 222.105608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lkDJlRcb9o |
|---|---|
| Name | 3-Fluorobenzoic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.105607884 u |
| Formula | C13H15FO2 |
| InChI | InChI=1S/C13H15FO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2 |
| InChIKey | BPKDIJPHXUCVAY-UHFFFAOYSA-N |
| Molecular Weight | 222.259 g/mol |
| SMILES | C1CCCCC1OC(=O)C=1C=CC=C(F)C1 |