| SpectraBase Spectrum ID |
CIWAX6PWuX1 |
| Name |
5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[(4-methylphenoxy)methyl]-2-oxo-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.189257321 u |
| Formula |
C23H26N2O4 |
| InChI |
InChI=1S/C23H26N2O4/c1-5-28-22(26)20-19(13-29-17-10-7-14(2)8-11-17)24-23(27)25-21(20)18-12-15(3)6-9-16(18)4/h6-12,21H,5,13H2,1-4H3,(H2,24,25,27) |
| InChIKey |
HYICMPQNQCGZTN-UHFFFAOYSA-N |
| Molecular Weight |
394.471 g/mol |
| SMILES |
C=1(C(NC(NC1COC1=CC=C(C)C=C1)=O)C=1C(=CC=C(C1)C)C)C(=O)OCC |
![5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[(4-methylphenoxy)methyl]-2-oxo-, ethyl ester](/api/spectrum/CIWAX6PWuX1/structure.png?h=300&w=458 "5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[(4-methylphenoxy)methyl]-2-oxo-, ethyl ester")
