| SpectraBase Spectrum ID |
JlDK9432uVF |
| Name |
3-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.160121398 u |
| Formula |
C26H26ClNO3 |
| InChI |
InChI=1S/C26H26ClNO3/c1-16-22(25(30)31-15-17-7-5-4-6-8-17)23(18-9-11-19(27)12-10-18)24-20(28-16)13-26(2,3)14-21(24)29/h4-12,23,28H,13-15H2,1-3H3 |
| InChIKey |
ZCUGSWXAZIKTEJ-UHFFFAOYSA-N |
| Molecular Weight |
435.951 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(OCC=1C=CC=CC1)=O)C=1C=CC(=CC1)Cl)C(CC(C2)(C)C)=O |
