| SpectraBase Spectrum ID |
4gVGJlUHESh |
| Name |
2,4-Dimethoxy-2'-(N-butyl)oxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-4-5-14-25-20-9-7-6-8-18(20)19(22)13-11-16-10-12-17(23-2)15-21(16)24-3/h6-13,15H,4-5,14H2,1-3H3/b13-11+ |
| InChIKey |
UIVXLHCKKQICBH-ACCUITESSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C1(=C(C=CC=C1)OCCCC)C(\C=C\C=1C=CC(OC)=CC1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918739 |
