| SpectraBase Spectrum ID |
1ZusYuI4jhW |
| Name |
Ethoxycarbonylmethyl methoxycarbonylmethyl 1,4-dihydro-2,6-dimethyl-4-(2'-chlorophenyl)pyridine-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.119044429 u |
| Formula |
C22H24ClNO8 |
| InChI |
InChI=1S/C22H24ClNO8/c1-5-30-17(26)11-32-22(28)19-13(3)24-12(2)18(21(27)31-10-16(25)29-4)20(19)14-8-6-7-9-15(14)23/h6-9,20,24H,5,10-11H2,1-4H3 |
| InChIKey |
KPDHPLSNCHOGEZ-UHFFFAOYSA-N |
| Molecular Weight |
465.886 g/mol |
| SMILES |
C=1(C(C(C(OCC(=O)OCC)=O)=C(NC1C)C)C=1C(Cl)=CC=CC1)C(OCC(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975625 |
