| SpectraBase Spectrum ID |
7kDHmAJKsBw |
| Name |
5-Pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-phenoxyethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.163436495 u |
| Formula |
C22H24N2O6 |
| InChI |
InChI=1S/C22H24N2O6/c1-3-28-18-13-15(9-10-17(18)25)20-19(14(2)23-22(27)24-20)21(26)30-12-11-29-16-7-5-4-6-8-16/h4-10,13,20,25H,3,11-12H2,1-2H3,(H2,23,24,27) |
| InChIKey |
KCPZDQPHGBTHBB-UHFFFAOYSA-N |
| Molecular Weight |
412.442 g/mol |
| SMILES |
N1C(NC(=C(C1C1=CC=C(C(=C1)OCC)O)C(=O)OCCOC=1C=CC=CC1)C)=O |
