| SpectraBase Compound ID | 9lusd78tpK |
|---|---|
| InChI | InChI=1S/C13H15FO2/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2 |
| InChIKey | YDRJRZATXHNIOV-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 | CMsbOeo4udB |
|---|---|
| Name | Cyclohexanecarboxylic acid, 3-fluorophenyl 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/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2 |
| InChIKey | YDRJRZATXHNIOV-UHFFFAOYSA-N |
| Molecular Weight | 222.259 g/mol |
| SMILES | C1C(CCCC1)C(=O)OC1=CC=CC(=C1)F |