| SpectraBase Spectrum ID |
BM7Zh60UEJe |
| Name |
3-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.191421527 u |
| Formula |
C24H30ClNO3 |
| InChI |
InChI=1S/C24H30ClNO3/c1-5-6-7-12-29-23(28)20-15(2)26-18-13-24(3,4)14-19(27)22(18)21(20)16-8-10-17(25)11-9-16/h8-11,21,26H,5-7,12-14H2,1-4H3 |
| InChIKey |
KENWQECBAMSFJW-UHFFFAOYSA-N |
| Molecular Weight |
415.961 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(=O)OCCCCC)C1=CC=C(C=C1)Cl)C(CC(C2)(C)C)=O |
