| SpectraBase Spectrum ID |
BIiImJzfSHS |
| Name |
5,6,7,8,3',4'-Hexamethoxyflavanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.147117725 u |
| Formula |
C21H24O8 |
| InChI |
InChI=1S/C21H24O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-9,14H,10H2,1-6H3 |
| InChIKey |
LTRBUBSPQISFFL-UHFFFAOYSA-N |
| Molecular Weight |
404.415 g/mol |
| SMILES |
C1(CC(=O)C=2C(O1)=C(OC)C(=C(C2OC)OC)OC)C1=CC(=C(C=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939101 |
