| SpectraBase Spectrum ID |
8aqIlWbhTSr |
| Name |
5-Pyrimidinecarboxylic acid, 4-(4-ethylphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1,3-benzodioxol-5-ylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.152871811 u |
| Formula |
C22H22N2O5 |
| InChI |
InChI=1S/C22H22N2O5/c1-3-14-4-7-16(8-5-14)20-19(13(2)23-22(26)24-20)21(25)27-11-15-6-9-17-18(10-15)29-12-28-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26) |
| InChIKey |
GILXKGFPSUZEON-UHFFFAOYSA-N |
| Molecular Weight |
394.427 g/mol |
| SMILES |
N1C(NC(C(=C1C)C(OCC=1C=C2OCOC2=CC1)=O)C1=CC=C(C=C1)CC)=O |
