| SpectraBase Compound ID | IAVaznri7rL |
|---|---|
| InChI | InChI=1S/C15H13FO2/c1-10-6-5-9-14(11(10)2)18-15(17)12-7-3-4-8-13(12)16/h3-9H,1-2H3 |
| InChIKey | IAXVIYGMQYIILF-UHFFFAOYSA-N |
| Mol Weight | 244.27 g/mol |
| Molecular Formula | C15H13FO2 |
| Exact Mass | 244.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BA1LRvzXJwM |
|---|---|
| Name | 2-Fluorobenzoic acid, 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.089957820 u |
| Formula | C15H13FO2 |
| InChI | InChI=1S/C15H13FO2/c1-10-6-5-9-14(11(10)2)18-15(17)12-7-3-4-8-13(12)16/h3-9H,1-2H3 |
| InChIKey | IAXVIYGMQYIILF-UHFFFAOYSA-N |
| Molecular Weight | 244.265 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC1=C(C(C)=CC=C1)C)F |