| SpectraBase Compound ID | GJpupa7rN5U |
|---|---|
| InChI | InChI=1S/C20H12F2O4/c21-13-10-14(22)12-16(11-13)26-20(24)18-9-5-4-8-17(18)19(23)25-15-6-2-1-3-7-15/h1-12H |
| InChIKey | KMULRXRSLXOACN-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 | AhsPa5A7jyr |
|---|---|
| Name | Phthalic acid, 3,5-difluorophenyl phenyl 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/c21-13-10-14(22)12-16(11-13)26-20(24)18-9-5-4-8-17(18)19(23)25-15-6-2-1-3-7-15/h1-12H |
| InChIKey | KMULRXRSLXOACN-UHFFFAOYSA-N |
| Molecular Weight | 354.309 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC=CC=C1)=O |