| SpectraBase Spectrum ID |
6NIIBmY8rXm |
| Name |
3-Quinolinecarboxylic acid, 4-(2,5-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, cyclohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.220223097 u |
| Formula |
C25H31NO5 |
| InChI |
InChI=1S/C25H31NO5/c1-15-22(25(28)31-16-8-5-4-6-9-16)23(24-19(26-15)10-7-11-20(24)27)18-14-17(29-2)12-13-21(18)30-3/h12-14,16,23,26H,4-11H2,1-3H3 |
| InChIKey |
QGFRCKJQNIWGBD-UHFFFAOYSA-N |
| Molecular Weight |
425.525 g/mol |
| SMILES |
N1C(=C(C(C=2C(CCCC12)=O)C1=C(C=CC(=C1)OC)OC)C(OC1CCCCC1)=O)C |
