![1-[4-(Trifluoromethyl)phenyl]pentane-1,4-dione](/api/spectrum/4QZwnr1zGb9/structure.png?h=300&w=458 "1-[4-(Trifluoromethyl)phenyl]pentane-1,4-dione")
| SpectraBase Compound ID | 5ZgIVdFlUZ4 |
|---|---|
| InChI | InChI=1S/C12H11F3O2/c1-8(16)2-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7H2,1H3 |
| InChIKey | FSQOMVVVHIEDQW-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H11F3O2 |
| Exact Mass | 244.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4QZwnr1zGb9 |
|---|---|
| Name | 1-[4-(Trifluoromethyl)phenyl]pentane-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.071114081 u |
| Formula | C12H11F3O2 |
| InChI | InChI=1S/C12H11F3O2/c1-8(16)2-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7H2,1H3 |
| InChIKey | FSQOMVVVHIEDQW-UHFFFAOYSA-N |
| Molecular Weight | 244.213 g/mol |
| SMILES | C(C1=CC=C(C(=O)CCC(=O)C)C=C1)(F)(F)F |