| SpectraBase Compound ID | 1pXUpcJXZN8 |
|---|---|
| InChI | InChI=1S/C19H18F2O4/c1-3-19(4-2,17(22)24-15-9-5-7-13(20)11-15)18(23)25-16-10-6-8-14(21)12-16/h5-12H,3-4H2,1-2H3 |
| InChIKey | NCBSAMVPCZVQBA-UHFFFAOYSA-N |
| Mol Weight | 348.35 g/mol |
| Molecular Formula | C19H18F2O4 |
| Exact Mass | 348.117315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcvvZWxshz |
|---|---|
| Name | Diethylmalonic acid, di(3-fluorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.117315382 u |
| Formula | C19H18F2O4 |
| InChI | InChI=1S/C19H18F2O4/c1-3-19(4-2,17(22)24-15-9-5-7-13(20)11-15)18(23)25-16-10-6-8-14(21)12-16/h5-12H,3-4H2,1-2H3 |
| InChIKey | NCBSAMVPCZVQBA-UHFFFAOYSA-N |
| Molecular Weight | 348.346 g/mol |
| SMILES | CCC(C(OC1=CC=CC(=C1)F)=O)(C(OC1=CC(=CC=C1)F)=O)CC |