| SpectraBase Spectrum ID |
7ChF6LHezs1 |
| Name |
3',4'-Dimethoxy-3-hydroxy-6-methylflavone, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.052522223 u |
| Formula |
C20H15ClF2O6 |
| InChI |
InChI=1S/C20H15ClF2O6/c1-10-4-6-13-12(8-10)16(24)18(29-19(25)20(21,22)23)17(28-13)11-5-7-14(26-2)15(9-11)27-3/h4-9H,1-3H3 |
| InChIKey |
CZOKKVLVDNREBZ-UHFFFAOYSA-N |
| Molecular Weight |
424.784 g/mol |
| SMILES |
C1=C(C=CC(=C1OC)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC(=CC=C2O1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90402 |
