| SpectraBase Spectrum ID |
AvvN5AFA2j1 |
| Name |
4'-(2-Butyl)oxy-2'-methyl-3,4,5-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/c1-7-16(3)28-18-9-10-19(15(2)12-18)20(24)11-8-17-13-21(25-4)23(27-6)22(14-17)26-5/h8-14,16H,7H2,1-6H3/b11-8+ |
| InChIKey |
OFJGWRMOQQFZRF-DHZHZOJOSA-N |
| Molecular Weight |
384.472 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC(CC)C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815071 |
