| SpectraBase Spectrum ID |
DuXtekEx3zt |
| Name |
4'-(3-Methylbutyl)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 |
338.188194694 u |
| Formula |
C22H26O3 |
| InChI |
InChI=1S/C22H26O3/c1-16(2)13-14-25-20-10-11-21(17(3)15-20)22(23)12-7-18-5-8-19(24-4)9-6-18/h5-12,15-16H,13-14H2,1-4H3/b12-7+ |
| InChIKey |
ITEMTMXROXYKFK-KPKJPENVSA-N |
| Molecular Weight |
338.447 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCCC(C)C)C)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962539 |
