| SpectraBase Spectrum ID |
7k199FNIfKB |
| Name |
2-Phenylethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.188922968 u |
| Formula |
C27H27NO5 |
| InChI |
InChI=1S/C27H27NO5/c1-17-24(27(31)32-16-15-19-7-4-3-5-8-19)25(26-22(28-17)9-6-10-23(26)30)20-11-13-21(14-12-20)33-18(2)29/h3-5,7-8,11-14,25,28H,6,9-10,15-16H2,1-2H3 |
| InChIKey |
MLKQXWTZOSCKRE-UHFFFAOYSA-N |
| Molecular Weight |
445.515 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(OCCC1=CC=CC=C1)=O)C1=CC=C(OC(=O)C)C=C1)C(CCC2)=O |
![2-Phenylethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate](/api/spectrum/7k199FNIfKB/structure.png?h=300&w=458 "2-Phenylethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate")
