| SpectraBase Spectrum ID |
7KhAnmnYXdN |
| Name |
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, cyclopentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.171164904 u |
| Formula |
C23H27NO3S |
| InChI |
InChI=1S/C23H27NO3S/c1-14-20(23(26)27-16-6-3-4-7-16)21(15-10-12-17(28-2)13-11-15)22-18(24-14)8-5-9-19(22)25/h10-13,16,21,24H,3-9H2,1-2H3 |
| InChIKey |
QYHKMOWXOGHZDZ-UHFFFAOYSA-N |
| Molecular Weight |
397.533 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(OC1CCCC1)=O)C1=CC=C(C=C1)SC)C(CCC2)=O |
![3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, cyclopentyl ester](/api/spectrum/7KhAnmnYXdN/structure.png?h=300&w=458 "3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, cyclopentyl ester")
