| SpectraBase Compound ID | 5j9nUJAaeUn |
|---|---|
| InChI | InChI=1S/C7H11F3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3 |
| InChIKey | UOUKEYVAKRKVQA-UHFFFAOYSA-N |
| Mol Weight | 184.16 g/mol |
| Molecular Formula | C7H11F3O2 |
| Exact Mass | 184.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IxHo4mmn8j |
|---|---|
| Name | Trifluoroacetic acid, isopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.071114081 u |
| Formula | C7H11F3O2 |
| InChI | InChI=1S/C7H11F3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3 |
| InChIKey | UOUKEYVAKRKVQA-UHFFFAOYSA-N |
| Molecular Weight | 184.158 g/mol |
| SMILES | C(F)(F)(F)C(OCCC(C)C)=O |