SpectraBase Spectrum ID |
E9tYuH0n1JD |
Name |
Flavone, 4',5,7-triethoxy-3,3',6-trimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
444.178417854 u |
Formula |
C24H28O8 |
InChI |
InChI=1S/C24H28O8/c1-7-29-15-11-10-14(12-16(15)26-4)21-24(28-6)20(25)19-17(32-21)13-18(30-8-2)22(27-5)23(19)31-9-3/h10-13H,7-9H2,1-6H3 |
InChIKey |
XDCVLIJOGUMJHB-UHFFFAOYSA-N |
Molecular Weight |
444.480 g/mol |
SMILES |
C(OC1=C2C(OC(=C(C2=O)OC)C2=CC(OC)=C(C=C2)OCC)=CC(=C1OC)OCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961846 |