| SpectraBase Spectrum ID |
BggdXgkqUnY |
| Name |
2'-(3-Methylbutyl)oxy-3,4,4'-trimethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.193673997 u |
| Formula |
C23H28O5 |
| InChI |
InChI=1S/C23H28O5/c1-16(2)12-13-28-22-15-18(25-3)8-9-19(22)20(24)10-6-17-7-11-21(26-4)23(14-17)27-5/h6-11,14-16H,12-13H2,1-5H3/b10-6+ |
| InChIKey |
ZYBKUIAUNQWINK-UXBLZVDNSA-N |
| Molecular Weight |
384.472 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCC(C)C)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870434 |
