| SpectraBase Spectrum ID |
5Au1BSzpQWN |
| Name |
4'-(2-Butyl)oxy-4-methoxy-2'-methylchalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.172544630 u |
| Formula |
C21H24O3 |
| InChI |
InChI=1S/C21H24O3/c1-5-16(3)24-19-11-12-20(15(2)14-19)21(22)13-8-17-6-9-18(23-4)10-7-17/h6-14,16H,5H2,1-4H3/b13-8+ |
| InChIKey |
DKORKQVYWFWBIF-MDWZMJQESA-N |
| Molecular Weight |
324.420 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC(CC)C)C)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943721 |
