| SpectraBase Spectrum ID |
64nGUI1IbQp |
| Name |
3',4',5,7-Tetrahydroxy-3-methoxyflavone, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.089996770 u |
| Formula |
C22H18O10 |
| InChI |
InChI=1S/C22H18O10/c1-10(23)29-14-8-15(26)19-18(9-14)32-21(22(28-4)20(19)27)13-5-6-16(30-11(2)24)17(7-13)31-12(3)25/h5-9,26H,1-4H3 |
| InChIKey |
MBHSFXNJZHTEKF-UHFFFAOYSA-N |
| Molecular Weight |
442.376 g/mol |
| SMILES |
C1(=CC(=C2C(C(=C(OC2=C1)C1=CC(=C(C=C1)OC(=O)C)OC(=O)C)OC)=O)O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964159 |
