| SpectraBase Compound ID | JmIsShd469m |
|---|---|
| InChI | InChI=1S/C12H11F3O3/c1-8(16)2-3-9-4-6-10(7-5-9)18-11(17)12(13,14)15/h4-7H,2-3H2,1H3 |
| InChIKey | UUMQVDLBBNAYSM-UHFFFAOYSA-N |
| Mol Weight | 260.21 g/mol |
| Molecular Formula | C12H11F3O3 |
| Exact Mass | 260.066029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YzhBZrkifc |
|---|---|
| Name | 4-(4-Hydroxyphenyl)-2-butanone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.066028700 u |
| Formula | C12H11F3O3 |
| InChI | InChI=1S/C12H11F3O3/c1-8(16)2-3-9-4-6-10(7-5-9)18-11(17)12(13,14)15/h4-7H,2-3H2,1H3 |
| InChIKey | UUMQVDLBBNAYSM-UHFFFAOYSA-N |
| Molecular Weight | 260.212 g/mol |
| SMILES | C(CC(C)=O)C1=CC=C(C=C1)OC(C(F)(F)F)=O |