| SpectraBase Spectrum ID |
5uJRU1ratsP |
| Name |
1-[2-(4,4-Dimethyl-3-oxopentyl)-5,6-(methylenedioxy)-1H-indol-3-yl]-5,5-dimethylhexan-1,4-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.220223097 u |
| Formula |
C24H31NO5 |
| InChI |
InChI=1S/C24H31NO5/c1-23(2,3)20(27)9-7-15-22(17(26)8-10-21(28)24(4,5)6)14-11-18-19(30-13-29-18)12-16(14)25-15/h11-12,25H,7-10,13H2,1-6H3 |
| InChIKey |
GHDURBVNCJNYGW-UHFFFAOYSA-N |
| Molecular Weight |
413.514 g/mol |
| SMILES |
C=1(C2=C(C=C3C(=C2)OCO3)NC1CCC(C(C)(C)C)=O)C(CCC(C(C)(C)C)=O)=O |
![1-[2-(4,4-Dimethyl-3-oxopentyl)-5,6-(methylenedioxy)-1H-indol-3-yl]-5,5-dimethylhexan-1,4-dione](/api/spectrum/5uJRU1ratsP/structure.png?h=300&w=458 "1-[2-(4,4-Dimethyl-3-oxopentyl)-5,6-(methylenedioxy)-1H-indol-3-yl]-5,5-dimethylhexan-1,4-dione")
