| SpectraBase Compound ID | 7C8sYuhNLrV |
|---|---|
| InChI | InChI=1S/C20H12F2O4/c21-13-5-3-7-15(11-13)25-19(23)17-9-1-2-10-18(17)20(24)26-16-8-4-6-14(22)12-16/h1-12H |
| InChIKey | MYZSWPGHPAPEJW-UHFFFAOYSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C20H12F2O4 |
| Exact Mass | 354.070365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJUUh6oSHU1 |
|---|---|
| Name | Phthalic acid, di(3-fluorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.070365188 u |
| Formula | C20H12F2O4 |
| InChI | InChI=1S/C20H12F2O4/c21-13-5-3-7-15(11-13)25-19(23)17-9-1-2-10-18(17)20(24)26-16-8-4-6-14(22)12-16/h1-12H |
| InChIKey | MYZSWPGHPAPEJW-UHFFFAOYSA-N |
| Molecular Weight | 354.309 g/mol |
| SMILES | C1(=CC=CC=C1C(OC1=CC(=CC=C1)F)=O)C(OC1=CC(=CC=C1)F)=O |