| SpectraBase Compound ID | 3NnL6wB72GS |
|---|---|
| InChI | InChI=1S/C11H6F6O4/c12-10(13,14)5-20-8(18)6-3-1-2-4-7(6)21-9(19)11(15,16)17/h1-4H,5H2 |
| InChIKey | CRRFLXGZIVVZES-UHFFFAOYSA-N |
| Mol Weight | 316.16 g/mol |
| Molecular Formula | C11H6F6O4 |
| Exact Mass | 316.017028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Z9lL0Ed8Iz |
|---|---|
| Name | 2-Hydroxybenzoic acid, 2,2,2-trifluoroethyl, tirfluoroacetate diester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.017027647 u |
| Formula | C11H6F6O4 |
| InChI | InChI=1S/C11H6F6O4/c12-10(13,14)5-20-8(18)6-3-1-2-4-7(6)21-9(19)11(15,16)17/h1-4H,5H2 |
| InChIKey | CRRFLXGZIVVZES-UHFFFAOYSA-N |
| Molecular Weight | 316.155 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OCC(F)(F)F)OC(C(F)(F)F)=O |