| SpectraBase Spectrum ID |
AkWeVYL9tlb |
| Name |
2'-(2-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/c1-6-16(2)15-28-22-14-18(25-3)9-10-19(22)20(24)11-7-17-8-12-21(26-4)23(13-17)27-5/h7-14,16H,6,15H2,1-5H3/b11-7+ |
| InChIKey |
IVEYWELZQBYFLZ-YRNVUSSQSA-N |
| Molecular Weight |
384.472 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCC(CC)C)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967368 |
