| SpectraBase Compound ID | BayshY7Qlmf |
|---|---|
| InChI | InChI=1S/C11H8F6O2/c1-6-2-4-7(5-3-6)8(18)19-9(10(12,13)14)11(15,16)17/h2-5,9H,1H3 |
| InChIKey | ODRJPISMVNBEFS-UHFFFAOYSA-N |
| Mol Weight | 286.17 g/mol |
| Molecular Formula | C11H8F6O2 |
| Exact Mass | 286.042848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RiBcy1SDkc |
|---|---|
| Name | 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-methylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.042848474 u |
| Formula | C11H8F6O2 |
| InChI | InChI=1S/C11H8F6O2/c1-6-2-4-7(5-3-6)8(18)19-9(10(12,13)14)11(15,16)17/h2-5,9H,1H3 |
| InChIKey | ODRJPISMVNBEFS-UHFFFAOYSA-N |
| Molecular Weight | 286.173 g/mol |
| SMILES | C1=CC(=CC=C1C)C(OC(C(F)(F)F)C(F)(F)F)=O |