| SpectraBase Compound ID | 6IKbiKTYTB |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | MJYVSHREGDJTMZ-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 | 4DRCQC098e3 |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-methylbutyl 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/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | MJYVSHREGDJTMZ-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | C(C1=CC=C(C=C1)F)(OCC(CC)C)=O |