| SpectraBase Compound ID | 6ZXfEk6bEq4 |
|---|---|
| InChI | InChI=1S/C13H17FO/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | IEZLNDQIGJDDDB-UHFFFAOYSA-N |
| Mol Weight | 208.28 g/mol |
| Molecular Formula | C13H17FO |
| Exact Mass | 208.126343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xvXWhi0cAi |
|---|---|
| Name | 1-(4-Fluorophenyl)-4,4-dimethylpentan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.126343329 u |
| Formula | C13H17FO |
| InChI | InChI=1S/C13H17FO/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | IEZLNDQIGJDDDB-UHFFFAOYSA-N |
| Molecular Weight | 208.276 g/mol |
| SMILES | C=1C=C(CC(CC(C)(C)C)=O)C=CC1F |