| SpectraBase Compound ID | 9S6ngsLZm0g |
|---|---|
| InChI | InChI=1S/C14H10F2O2/c1-9-4-2-5-10(8-9)18-14(17)13-11(15)6-3-7-12(13)16/h2-8H,1H3 |
| InChIKey | DCNQBWVVOQORMZ-UHFFFAOYSA-N |
| Mol Weight | 248.23 g/mol |
| Molecular Formula | C14H10F2O2 |
| Exact Mass | 248.064886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNDKTcEPn3I |
|---|---|
| Name | 2,6-Difluorobenzoic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.064885886 u |
| Formula | C14H10F2O2 |
| InChI | InChI=1S/C14H10F2O2/c1-9-4-2-5-10(8-9)18-14(17)13-11(15)6-3-7-12(13)16/h2-8H,1H3 |
| InChIKey | DCNQBWVVOQORMZ-UHFFFAOYSA-N |
| Molecular Weight | 248.229 g/mol |
| SMILES | C1=CC=C(C(=C1F)C(OC1=CC(C)=CC=C1)=O)F |