| SpectraBase Compound ID | 7UI5PosTciZ |
|---|---|
| InChI | InChI=1S/C20H12F2O4/c21-15-6-2-8-17(11-15)25-19(23)13-4-1-5-14(10-13)20(24)26-18-9-3-7-16(22)12-18/h1-12H |
| InChIKey | KXDSESZJFNCNKF-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 | 5v4EkBTdUSG |
|---|---|
| Name | Isophthalic 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/c21-15-6-2-8-17(11-15)25-19(23)13-4-1-5-14(10-13)20(24)26-18-9-3-7-16(22)12-18/h1-12H |
| InChIKey | KXDSESZJFNCNKF-UHFFFAOYSA-N |
| Molecular Weight | 354.309 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC1=CC(=CC=C1)F)=O)C(OC1=CC=CC(=C1)F)=O |