| SpectraBase Compound ID | 4dcsZN7oJ5J |
|---|---|
| InChI | InChI=1S/C17H9F3O4/c18-17(19,20)16(22)23-11-7-5-10(6-8-11)15-9-13(21)12-3-1-2-4-14(12)24-15/h1-9H |
| InChIKey | VJAMJOWUEOIVRL-UHFFFAOYSA-N |
| Mol Weight | 334.25 g/mol |
| Molecular Formula | C17H9F3O4 |
| Exact Mass | 334.045293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9D6qgJNVpjH |
|---|---|
| Name | 4'-Hydroxyflavone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.045293255 u |
| Formula | C17H9F3O4 |
| InChI | InChI=1S/C17H9F3O4/c18-17(19,20)16(22)23-11-7-5-10(6-8-11)15-9-13(21)12-3-1-2-4-14(12)24-15/h1-9H |
| InChIKey | VJAMJOWUEOIVRL-UHFFFAOYSA-N |
| Molecular Weight | 334.250 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C(F)(F)F)=O)C1=CC(C2=CC=CC=C2O1)=O |