| SpectraBase Spectrum ID |
ACbK4E0Od5r |
| Name |
2'-(N-Butyl)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 |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-5-6-13-27-21-15-17(24-2)9-10-18(21)19(23)11-7-16-8-12-20(25-3)22(14-16)26-4/h7-12,14-15H,5-6,13H2,1-4H3/b11-7+ |
| InChIKey |
MEGJOACHWXBWCC-YRNVUSSQSA-N |
| Molecular Weight |
370.445 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCCC)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903811 |
