| SpectraBase Spectrum ID |
FR1CegIiL19 |
| Name |
1-Benzyl-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.188922968 u |
| Formula |
C25H27NO5 |
| InChI |
InChI=1S/C25H27NO5/c1-4-30-24(27)21-16-26(15-18-9-7-6-8-10-18)17-22(25(28)31-5-2)23(21)19-11-13-20(29-3)14-12-19/h6-14,16-17,23H,4-5,15H2,1-3H3 |
| InChIKey |
ALYXBGCFLJWRGF-UHFFFAOYSA-N |
| Molecular Weight |
421.493 g/mol |
| SMILES |
C=1(C(C(C(=O)OCC)=CN(C1)CC=1C=CC=CC1)C1=CC=C(C=C1)OC)C(=O)OCC |
