| SpectraBase Compound ID | K1enxk39rBa |
|---|---|
| InChI | InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+ |
| InChIKey | STPNBQOTKFPYEG-UNZYHPAISA-N |
| Mol Weight | 310.34 g/mol |
| Molecular Formula | C20H16F2O |
| Exact Mass | 310.116921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xUHtkNAW0a |
|---|---|
| Name | (2E,6E)-2,6-bis(4-Fluorobenzylidene)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.116921460 u |
| Formula | C20H16F2O |
| InChI | InChI=1S/C20H16F2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+ |
| InChIKey | STPNBQOTKFPYEG-UNZYHPAISA-N |
| Molecular Weight | 310.344 g/mol |
| SMILES | C1(\C(CCC\C1=C\C1=CC=C(C=C1)F)=C\C1=CC=C(C=C1)F)=O |