| SpectraBase Compound ID | 10ZfVE6bKUj |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-12(2,3)8-15-11(14)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey | SHHGFBLYQIMPHC-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C12H15FO2 |
| Exact Mass | 210.105608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsZxvzoHtti |
|---|---|
| Name | 4-Fluorobenzoic acid, 2,2-dimethylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.105607884 u |
| Formula | C12H15FO2 |
| InChI | InChI=1S/C12H15FO2/c1-12(2,3)8-15-11(14)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey | SHHGFBLYQIMPHC-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | CC(C)(C)COC(=O)C=1C=CC(F)=CC1 |