| SpectraBase Compound ID | AEQLNqiHOEx |
|---|---|
| InChI | InChI=1S/C18H11F3O5/c1-24-14-7-11-13(8-15(14)26-17(23)18(19,20)21)25-9-12(16(11)22)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | QFQXVYSCHBSSHZ-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 | 5IjsANweR7M |
|---|---|
| Name | 7-Hydroxy-6-methoxyisoflavone, 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/c1-24-14-7-11-13(8-15(14)26-17(23)18(19,20)21)25-9-12(16(11)22)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | QFQXVYSCHBSSHZ-UHFFFAOYSA-N |
| Molecular Weight | 364.276 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C(C2=CC(=C(C=C2OC1)OC(C(F)(F)F)=O)OC)=O |