| SpectraBase Spectrum ID |
Jr6JF4HFVgu |
| Name |
4',6'-Dimethoxy-4-dimethylamino-2'-(2-methylbutyl)oxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.225308478 u |
| Formula |
C24H31NO4 |
| InChI |
InChI=1S/C24H31NO4/c1-7-17(2)16-29-23-15-20(27-5)14-22(28-6)24(23)21(26)13-10-18-8-11-19(12-9-18)25(3)4/h8-15,17H,7,16H2,1-6H3/b13-10+ |
| InChIKey |
KHBVCHFELIQJCG-JLHYYAGUSA-N |
| Molecular Weight |
397.515 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OCC(CC)C)C(\C=C\C=1C=CC(N(C)C)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975535 |
