| SpectraBase Spectrum ID |
AK59SGbBeOn |
| Name |
7,4'-Dimethoxy-5-hydroxyisoflavone, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.036872159 u |
| Formula |
C19H13ClF2O6 |
| InChI |
InChI=1S/C19H13ClF2O6/c1-25-11-5-3-10(4-6-11)13-9-27-14-7-12(26-2)8-15(16(14)17(13)23)28-18(24)19(20,21)22/h3-9H,1-2H3 |
| InChIKey |
ZBSVZDHQWHROEC-UHFFFAOYSA-N |
| Molecular Weight |
410.757 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)C=1C(=O)C2=C(C=C(C=C2OC1)OC)OC(C(F)(F)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872969 |
