| SpectraBase Spectrum ID |
6YPNc1t3aTb |
| Name |
3-Quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-phenoxyethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.183837587 u |
| Formula |
C27H27NO6 |
| InChI |
InChI=1S/C27H27NO6/c1-17-24(27(31)33-16-15-32-20-7-4-3-5-8-20)25(26-22(28-17)9-6-10-23(26)30)19-11-13-21(14-12-19)34-18(2)29/h3-5,7-8,11-14,25,28H,6,9-10,15-16H2,1-2H3 |
| InChIKey |
JJWCACSHBRFCRK-UHFFFAOYSA-N |
| Molecular Weight |
461.514 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(=O)OCCOC1=CC=CC=C1)C=1C=CC(OC(=O)C)=CC1)C(CCC2)=O |
![3-Quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-phenoxyethyl ester](/api/spectrum/6YPNc1t3aTb/structure.png?h=300&w=458 "3-Quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-phenoxyethyl ester")
