| SpectraBase Compound ID | Ldqu0V5fcAV |
|---|---|
| InChI | InChI=1S/C9H8F6O4/c1-5(7(17)19-4-9(13,14)15)2-6(16)18-3-8(10,11)12/h1-4H2 |
| InChIKey | IRXUFAGEXMCXHZ-UHFFFAOYSA-N |
| Mol Weight | 294.15 g/mol |
| Molecular Formula | C9H8F6O4 |
| Exact Mass | 294.032678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnWDw2dDmtU |
|---|---|
| Name | bis(2,2,2-Trifluoroethyl) itaconate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.032677712 u |
| Formula | C9H8F6O4 |
| InChI | InChI=1S/C9H8F6O4/c1-5(7(17)19-4-9(13,14)15)2-6(16)18-3-8(10,11)12/h1-4H2 |
| InChIKey | IRXUFAGEXMCXHZ-UHFFFAOYSA-N |
| Molecular Weight | 294.149 g/mol |
| SMILES | C(COC(=O)CC(=C)C(OCC(F)(F)F)=O)(F)(F)F |