| SpectraBase Compound ID | 5kQ5Lrvulg5 |
|---|---|
| InChI | InChI=1S/C18H13F3O/c19-18(20,21)17(15-9-5-2-6-10-15)13-16(22)12-11-14-7-3-1-4-8-14/h1-13H/b12-11+,17-13+ |
| InChIKey | IMBUJAWNSFZSQR-AETJLUGGSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C18H13F3O |
| Exact Mass | 302.09185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mlpeIN9tCo |
|---|---|
| Name | (E,E)-1,1,1-Trifluoro-2,6-diphenylhexa-2,5-dien-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.091849527 u |
| Formula | C18H13F3O |
| InChI | InChI=1S/C18H13F3O/c19-18(20,21)17(15-9-5-2-6-10-15)13-16(22)12-11-14-7-3-1-4-8-14/h1-13H/b12-11+,17-13+ |
| InChIKey | IMBUJAWNSFZSQR-AETJLUGGSA-N |
| Molecular Weight | 302.296 g/mol |
| SMILES | C(\C(=C\C(=O)\C=C\c1ccccc1)c1ccccc1)(F)(F)F |