| SpectraBase Compound ID | CFGlW3mYsH4 |
|---|---|
| InChI | InChI=1S/C15H13FO2/c1-10-6-11(2)8-14(7-10)18-15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3 |
| InChIKey | MDUQOTWCEPFACU-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 | 35fvqP8kd98 |
|---|---|
| Name | 3-Fluorobenzoic acid, 3,5-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/c1-10-6-11(2)8-14(7-10)18-15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3 |
| InChIKey | MDUQOTWCEPFACU-UHFFFAOYSA-N |
| Molecular Weight | 244.265 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC1=CC(C)=CC(C)=C1)=O)F |