| SpectraBase Compound ID | 5ttzJgWrMuE |
|---|---|
| InChI | InChI=1S/C12H8F6O3/c13-11(14,15)9(19)6-3-7-1-4-8(5-2-7)21-10(20)12(16,17)18/h1-2,4-5H,3,6H2 |
| InChIKey | QWFBFWFOSKTLPH-UHFFFAOYSA-N |
| Mol Weight | 314.18 g/mol |
| Molecular Formula | C12H8F6O3 |
| Exact Mass | 314.037763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AScUXj7J0CY |
|---|---|
| Name | 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.037763093 u |
| Formula | C12H8F6O3 |
| InChI | InChI=1S/C12H8F6O3/c13-11(14,15)9(19)6-3-7-1-4-8(5-2-7)21-10(20)12(16,17)18/h1-2,4-5H,3,6H2 |
| InChIKey | QWFBFWFOSKTLPH-UHFFFAOYSA-N |
| Molecular Weight | 314.183 g/mol |
| SMILES | C(F)(F)(F)C(=O)CCC1=CC=C(C=C1)OC(C(F)(F)F)=O |