| SpectraBase Spectrum ID |
IVVMaI4Osy |
| Name |
Diethyl 4-(4-acetoxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.178752206 u |
| Formula |
C22H27NO7 |
| InChI |
InChI=1S/C22H27NO7/c1-7-28-21(25)18-12(3)23-13(4)19(22(26)29-8-2)20(18)15-9-10-16(30-14(5)24)17(11-15)27-6/h9-11,20,23H,7-8H2,1-6H3 |
| InChIKey |
HCWZKLJUXBTKSO-UHFFFAOYSA-N |
| Molecular Weight |
417.458 g/mol |
| SMILES |
C1(=C(NC(=C(C1C1=CC(=C(C=C1)OC(=O)C)OC)C(=O)OCC)C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82397 |
