| SpectraBase Compound ID | 9DMlE0X0rsU |
|---|---|
| InChI | InChI=1S/C7H9F3O3/c1-4(2)13-6(12)3-5(11)7(8,9)10/h4H,3H2,1-2H3 |
| InChIKey | XLBGYZLICFMDDS-UHFFFAOYSA-N |
| Mol Weight | 198.14 g/mol |
| Molecular Formula | C7H9F3O3 |
| Exact Mass | 198.050379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Qffnl8ypHC |
|---|---|
| Name | Isopropyl 4,4,4-trifluoro-3-oxobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.050378636 u |
| Formula | C7H9F3O3 |
| InChI | InChI=1S/C7H9F3O3/c1-4(2)13-6(12)3-5(11)7(8,9)10/h4H,3H2,1-2H3 |
| InChIKey | XLBGYZLICFMDDS-UHFFFAOYSA-N |
| Molecular Weight | 198.141 g/mol |
| SMILES | CC(OC(CC(=O)C(F)(F)F)=O)C |