| SpectraBase Spectrum ID |
A1VXDubqSb3 |
| Name |
2-[1-[2-(3,4-Diethoxyphenyl)ethylamino]pentylidene]-5,5-dimethyl-cyclohexane-1,3-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.272258671 u |
| Formula |
C25H37NO4 |
| InChI |
InChI=1S/C25H37NO4/c1-6-9-10-19(24-20(27)16-25(4,5)17-21(24)28)26-14-13-18-11-12-22(29-7-2)23(15-18)30-8-3/h11-12,15,26H,6-10,13-14,16-17H2,1-5H3 |
| InChIKey |
HADHWTWNTUMWPK-UHFFFAOYSA-N |
| Molecular Weight |
415.574 g/mol |
| SMILES |
C1(C(CC(CC1=O)(C)C)=O)=C(NCCC=1C=C(OCC)C(=CC1)OCC)CCCC |
![2-[1-[2-(3,4-Diethoxyphenyl)ethylamino]pentylidene]-5,5-dimethyl-cyclohexane-1,3-dione](/api/spectrum/A1VXDubqSb3/structure.png?h=300&w=458 "2-[1-[2-(3,4-Diethoxyphenyl)ethylamino]pentylidene]-5,5-dimethyl-cyclohexane-1,3-dione")
