| SpectraBase Compound ID | B5rN3tKYo2v |
|---|---|
| InChI | InChI=1S/C14H10F2O2/c1-9-3-2-4-10(5-9)14(17)18-13-7-11(15)6-12(16)8-13/h2-8H,1H3 |
| InChIKey | DYXNDKPNWLKGNI-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 | 2J54HmceMuC |
|---|---|
| Name | m-Toluic acid, 3,5-difluorophenyl 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/c1-9-3-2-4-10(5-9)14(17)18-13-7-11(15)6-12(16)8-13/h2-8H,1H3 |
| InChIKey | DYXNDKPNWLKGNI-UHFFFAOYSA-N |
| Molecular Weight | 248.229 g/mol |
| SMILES | C1=CC(C(OC2=CC(=CC(=C2)F)F)=O)=CC(=C1)C |