| SpectraBase Spectrum ID |
GHiNM5BCFTo |
| Name |
Methyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-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 |
417.194008349 u |
| Formula |
C26H27NO4 |
| InChI |
InChI=1S/C26H27NO4/c1-16-22(25(29)30-4)23(24-20(27-16)14-26(2,3)15-21(24)28)17-9-8-12-19(13-17)31-18-10-6-5-7-11-18/h5-13,23,27H,14-15H2,1-4H3 |
| InChIKey |
VLOYVUFNHUUOKF-UHFFFAOYSA-N |
| Molecular Weight |
417.505 g/mol |
| SMILES |
N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC(OC2=CC=CC=C2)=CC=C1)C(=O)OC)C |
