| SpectraBase Spectrum ID |
7StbsveOnXS |
| Name |
2'-(N-Pentyl)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/c1-5-6-7-14-28-22-16-18(25-2)10-11-19(22)20(24)12-8-17-9-13-21(26-3)23(15-17)27-4/h8-13,15-16H,5-7,14H2,1-4H3/b12-8+ |
| InChIKey |
GLWHGHSBDHYCEK-XYOKQWHBSA-N |
| Molecular Weight |
384.472 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCCCC)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848238 |
