| SpectraBase Spectrum ID |
3xmo8QB6P1Q |
| Name |
5-Pyrimidinecarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, (4-methylphenyl)methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.168521876 u |
| Formula |
C22H24N2O5 |
| InChI |
InChI=1S/C22H24N2O5/c1-13-5-7-15(8-6-13)12-29-21(25)19-14(2)23-22(26)24-20(19)16-9-10-17(27-3)18(11-16)28-4/h5-11,20H,12H2,1-4H3,(H2,23,24,26) |
| InChIKey |
WBJWBOJUCOWDPW-UHFFFAOYSA-N |
| Molecular Weight |
396.443 g/mol |
| SMILES |
N1C(NC(=C(C1C=1C=C(OC)C(=CC1)OC)C(OCC=1C=CC(=CC1)C)=O)C)=O |
