| SpectraBase Compound ID | LXixatsxpHW |
|---|---|
| InChI | InChI=1S/C18H11F3O5/c1-24-11-8-6-10(7-9-11)15-16(26-17(23)18(19,20)21)14(22)12-4-2-3-5-13(12)25-15/h2-9H,1H3 |
| InChIKey | KGLBZAVRBBBPBO-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 | LTub7ir50u0 |
|---|---|
| Name | 4'-Methoxyflavonol, 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/c1-24-11-8-6-10(7-9-11)15-16(26-17(23)18(19,20)21)14(22)12-4-2-3-5-13(12)25-15/h2-9H,1H3 |
| InChIKey | KGLBZAVRBBBPBO-UHFFFAOYSA-N |
| Molecular Weight | 364.276 g/mol |
| SMILES | C1=C(C=CC(=C1)OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC=CC=C2O1)=O |