| SpectraBase Compound ID | LqxYvkUZSzl |
|---|---|
| InChI | InChI=1S/C9H10F6O4/c1-7(2,5(16)18-3-8(10,11)12)6(17)19-4-9(13,14)15/h3-4H2,1-2H3 |
| InChIKey | PHPBFXUBTGIZAM-UHFFFAOYSA-N |
| Mol Weight | 296.17 g/mol |
| Molecular Formula | C9H10F6O4 |
| Exact Mass | 296.048328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2xOzbYWSET |
|---|---|
| Name | Dimethylmalonic acid, 2,2,2-trifluoroethyl diester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.048327776 u |
| Formula | C9H10F6O4 |
| InChI | InChI=1S/C9H10F6O4/c1-7(2,5(16)18-3-8(10,11)12)6(17)19-4-9(13,14)15/h3-4H2,1-2H3 |
| InChIKey | PHPBFXUBTGIZAM-UHFFFAOYSA-N |
| Molecular Weight | 296.165 g/mol |
| SMILES | C(C(=O)OCC(F)(F)F)(C(=O)OCC(F)(F)F)(C)C |