| SpectraBase Spectrum ID |
DLNBBizyHQG |
| Name |
3',4'-Dimethoxyflavonol, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937456 |
