| SpectraBase Spectrum ID |
EzasNifO2ku |
| Name |
3-Hydroxy-4'-methoxy-6-methylflavone, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.041957540 u |
| Formula |
C19H13ClF2O5 |
| InChI |
InChI=1S/C19H13ClF2O5/c1-10-3-8-14-13(9-10)15(23)17(27-18(24)19(20,21)22)16(26-14)11-4-6-12(25-2)7-5-11/h3-9H,1-2H3 |
| InChIKey |
QYQFHNPANGOQBT-UHFFFAOYSA-N |
| Molecular Weight |
394.758 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC(=CC=C2O1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870739 |
