| SpectraBase Spectrum ID |
J1gGaRarQoS |
| Name |
3,5,7-tri(2-Methylbutyl)oxy-4'-methoxyflavone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.298139066 u |
| Formula |
C31H42O6 |
| InChI |
InChI=1S/C31H42O6/c1-8-20(4)17-34-25-15-26(35-18-21(5)9-2)28-27(16-25)37-30(23-11-13-24(33-7)14-12-23)31(29(28)32)36-19-22(6)10-3/h11-16,20-22H,8-10,17-19H2,1-7H3 |
| InChIKey |
XHLQROHSEUFCIM-UHFFFAOYSA-N |
| Molecular Weight |
510.671 g/mol |
| SMILES |
C1=CC(OC)=CC=C1C1=C(OCC(CC)C)C(C2=C(C=C(C=C2OCC(CC)C)OCC(CC)C)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88168 |
