| SpectraBase Compound ID | GnxqPXGX6sj |
|---|---|
| InChI | InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-13-8-4-7-12-15(13)11(27)9-14(29-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | XAILMVSXCPIJMR-UHFFFAOYSA-N |
| Mol Weight | 434.27 g/mol |
| Molecular Formula | C19H9F7O4 |
| Exact Mass | 434.038906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ju5fCuT7nas |
|---|---|
| Name | 5-(Heptafluorobutyryl)oxyflavone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.038905907 u |
| Formula | C19H9F7O4 |
| InChI | InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-13-8-4-7-12-15(13)11(27)9-14(29-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | XAILMVSXCPIJMR-UHFFFAOYSA-N |
| Molecular Weight | 434.266 g/mol |
| SMILES | C1=CC=CC=C1C1=CC(C2=C(C=CC=C2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)O1)=O |