| SpectraBase Spectrum ID |
2WpwujdsVmZ |
| Name |
3-Quinolinecarboxylic acid, 4-(4-ethoxyphenyl)-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 |
425.256608607 u |
| Formula |
C26H35NO4 |
| InChI |
InChI=1S/C26H35NO4/c1-6-8-9-14-31-25(29)22-17(3)27-20-15-26(4,5)16-21(28)24(20)23(22)18-10-12-19(13-11-18)30-7-2/h10-13,23,27H,6-9,14-16H2,1-5H3 |
| InChIKey |
GUZYPJMBECRBKG-UHFFFAOYSA-N |
| Molecular Weight |
425.569 g/mol |
| SMILES |
N1C2=C(C(C(=C1C)C(=O)OCCCCC)C1=CC=C(C=C1)OCC)C(CC(C2)(C)C)=O |
