| SpectraBase Compound ID | JJ90sRUECov |
|---|---|
| InChI | InChI=1S/C18H11F3O5/c1-24-16-8-10(6-7-14(16)26-17(23)18(19,20)21)15-9-12(22)11-4-2-3-5-13(11)25-15/h2-9H,1H3 |
| InChIKey | GIAUZZMMJBCBGD-UHFFFAOYSA-N |
| Mol Weight | 364.28 g/mol |
| Molecular Formula | C18H11F3O5 |
| Exact Mass | 364.055858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BE5PhnUl84t |
|---|---|
| Name | 4'-Hydroxy-3'-methoxyflavone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.055857938 u |
| Formula | C18H11F3O5 |
| InChI | InChI=1S/C18H11F3O5/c1-24-16-8-10(6-7-14(16)26-17(23)18(19,20)21)15-9-12(22)11-4-2-3-5-13(11)25-15/h2-9H,1H3 |
| InChIKey | GIAUZZMMJBCBGD-UHFFFAOYSA-N |
| Molecular Weight | 364.276 g/mol |
| SMILES | C1=C(C=CC(=C1OC)OC(C(F)(F)F)=O)C1=CC(C2=CC=CC=C2O1)=O |