| SpectraBase Spectrum ID |
BFhLbwcb9Pg |
| Name |
3-Allyloxycarbonyl-5,7-dimethoxyflavanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.110338294 u |
| Formula |
C21H18O6 |
| InChI |
InChI=1S/C21H18O6/c1-4-10-26-21(23)18-19(22)17-15(25-3)11-14(24-2)12-16(17)27-20(18)13-8-6-5-7-9-13/h4-9,11-12H,1,10H2,2-3H3 |
| InChIKey |
RXERWQSDMBHCED-UHFFFAOYSA-N |
| Molecular Weight |
366.369 g/mol |
| SMILES |
C=1(OC2=CC(=CC(=C2C(C1C(=O)OCC=C)=O)OC)OC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857702 |
