| SpectraBase Compound ID | qbkMwhFJG4 |
|---|---|
| InChI | InChI=1S/C20H12F2O4/c21-15-8-1-3-10-17(15)25-19(23)13-6-5-7-14(12-13)20(24)26-18-11-4-2-9-16(18)22/h1-12H |
| InChIKey | NDNOMZDYMUNYFI-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 | 1W8jYoNcfaH |
|---|---|
| Name | Isophthalic acid, di(2-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/c21-15-8-1-3-10-17(15)25-19(23)13-6-5-7-14(12-13)20(24)26-18-11-4-2-9-16(18)22/h1-12H |
| InChIKey | NDNOMZDYMUNYFI-UHFFFAOYSA-N |
| Molecular Weight | 354.309 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OC1=CC=CC=C1F)=O |