| SpectraBase Spectrum ID |
B3zjA9DYuAw |
| Name |
1,4-Dihydropyridine, 3,5-di[ethoxycarbonyl]-6-methyl-2-[4-chlorophenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.155036017 u |
| Formula |
C26H26ClNO4 |
| InChI |
InChI=1S/C26H26ClNO4/c1-4-31-25(29)22-17(3)28-24(19-12-14-20(27)15-13-19)23(26(30)32-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21,28H,4-5H2,1-3H3/b16-11+ |
| InChIKey |
XECRKRXFIXIWJW-LFIBNONCSA-N |
| Molecular Weight |
451.950 g/mol |
| SMILES |
C1(=C(C(C(=C(N1)C1=CC=C(C=C1)Cl)C(=O)OCC)\C=C\C1=CC=CC=C1)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861727 |
![1,4-Dihydropyridine, 3,5-di[ethoxycarbonyl]-6-methyl-2-[4-chlorophenyl]-](/api/spectrum/B3zjA9DYuAw/structure.png?h=300&w=458 "1,4-Dihydropyridine, 3,5-di[ethoxycarbonyl]-6-methyl-2-[4-chlorophenyl]-")
