| SpectraBase Compound ID | KViI2TpZtVP |
|---|---|
| InChI | InChI=1S/C19H13F3O6/c1-25-13-8-7-10(9-14(13)26-2)16-17(28-18(24)19(20,21)22)15(23)11-5-3-4-6-12(11)27-16/h3-9H,1-2H3 |
| InChIKey | WXOSWCMFVKIXAC-UHFFFAOYSA-N |
| Mol Weight | 394.3 g/mol |
| Molecular Formula | C19H13F3O6 |
| Exact Mass | 394.066423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLMr87sYFP5 |
|---|---|
| Name | 3',4'-Dimethoxyflavonol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.066422622 u |
| Formula | C19H13F3O6 |
| InChI | InChI=1S/C19H13F3O6/c1-25-13-8-7-10(9-14(13)26-2)16-17(28-18(24)19(20,21)22)15(23)11-5-3-4-6-12(11)27-16/h3-9H,1-2H3 |
| InChIKey | WXOSWCMFVKIXAC-UHFFFAOYSA-N |
| Molecular Weight | 394.302 g/mol |
| SMILES | C1=C(C=CC(=C1OC)OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC=CC=C2O1)=O |