| SpectraBase Spectrum ID |
8HHofUpIJJd |
| Name |
2,4-Dimethoxy-2'-(2-methylbutyl)oxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-5-16(2)15-26-21-9-7-6-8-19(21)20(23)13-11-17-10-12-18(24-3)14-22(17)25-4/h6-14,16H,5,15H2,1-4H3/b13-11+ |
| InChIKey |
DBMVEDNRHKKGBR-ACCUITESSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C1(=C(C=CC=C1)OCC(CC)C)C(\C=C\C=1C=CC(OC)=CC1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943081 |
