| SpectraBase Spectrum ID |
A0BmCUYgCPh |
| Name |
3,5,7-tri(2-Methylpropyl)oxy-4'-methoxyflavone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.251188873 u |
| Formula |
C28H36O6 |
| InChI |
InChI=1S/C28H36O6/c1-17(2)14-31-22-12-23(32-15-18(3)4)25-24(13-22)34-27(20-8-10-21(30-7)11-9-20)28(26(25)29)33-16-19(5)6/h8-13,17-19H,14-16H2,1-7H3 |
| InChIKey |
WXVQDRHCWCEZKQ-UHFFFAOYSA-N |
| Molecular Weight |
468.590 g/mol |
| SMILES |
C1=CC(OC)=CC=C1C1=C(OCC(C)C)C(C2=C(C=C(C=C2OCC(C)C)OCC(C)C)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949423 |
