| SpectraBase Spectrum ID |
9b2gqmPCGql |
| Name |
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-11-16(19(24)25-4)17(12-5-7-13(22)8-6-12)18-14(21-11)9-20(2,3)10-15(18)23/h5-8,17,21-22H,9-10H2,1-4H3 |
| InChIKey |
VTNYBNGREGVNLD-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
N1C2=C(C(C=3C=CC(=CC3)O)C(=C1C)C(=O)OC)C(CC(C2)(C)C)=O |
