SpectraBase Spectrum ID |
HXwZ6IOnzTI |
Name |
5,7,8-Trimethoxy-3',4'-methylenedioxyflavone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.089602848 u |
Formula |
C19H16O7 |
InChI |
InChI=1S/C19H16O7/c1-21-15-8-16(22-2)18(23-3)19-17(15)11(20)7-13(26-19)10-4-5-12-14(6-10)25-9-24-12/h4-8H,9H2,1-3H3 |
InChIKey |
GDJHJQDNVRPLKB-UHFFFAOYSA-N |
Molecular Weight |
356.330 g/mol |
SMILES |
C1(=O)C=C(C2=CC3=C(C=C2)OCO3)OC=2C1=C(C=C(C2OC)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848951 |