| SpectraBase Spectrum ID |
BcjxIRBQJI |
| Name |
2,4-Dimethoxy-2'-(3-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/c1-16(2)13-14-26-21-8-6-5-7-19(21)20(23)12-10-17-9-11-18(24-3)15-22(17)25-4/h5-12,15-16H,13-14H2,1-4H3/b12-10+ |
| InChIKey |
XCRNUEQABNJXRE-ZRDIBKRKSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C1(=C(C=CC=C1)OCCC(C)C)C(\C=C\C=1C=CC(OC)=CC1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95445 |
