| SpectraBase Spectrum ID |
6pCsPy4wY64 |
| Name |
Diethyl 4-{2-[(1Z)-3-tert-butoxy-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.230787781 u |
| Formula |
C26H33NO6 |
| InChI |
InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14- |
| InChIKey |
GKQPCPXONLDCMU-PFONDFGASA-N |
| Molecular Weight |
455.551 g/mol |
| SMILES |
CCOC(C1=C(NC(=C(C1C1=C(\C=C/C(OC(C)(C)C)=O)C=CC=C1)C(OCC)=O)C)C)=O |
![Diethyl 4-{2-[(1Z)-3-tert-butoxy-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate](/api/spectrum/6pCsPy4wY64/structure.png?h=300&w=458 "Diethyl 4-{2-[(1Z)-3-tert-butoxy-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate")
