| SpectraBase Compound ID | 9CpA7A0brLB |
|---|---|
| InChI | InChI=1S/C10H6F6O2/c11-9(12,13)5-18-8(17)6-1-3-7(4-2-6)10(14,15)16/h1-4H,5H2 |
| InChIKey | AEJNVCJTNNNNGN-UHFFFAOYSA-N |
| Mol Weight | 272.15 g/mol |
| Molecular Formula | C10H6F6O2 |
| Exact Mass | 272.027198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1QTceOTe7j1 |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.027198409 u |
| Formula | C10H6F6O2 |
| InChI | InChI=1S/C10H6F6O2/c11-9(12,13)5-18-8(17)6-1-3-7(4-2-6)10(14,15)16/h1-4H,5H2 |
| InChIKey | AEJNVCJTNNNNGN-UHFFFAOYSA-N |
| Molecular Weight | 272.146 g/mol |
| SMILES | C1(=CC=C(C=C1)C(F)(F)F)C(OCC(F)(F)F)=O |