| SpectraBase Spectrum ID |
B8LSEmAXlpF |
| Name |
1-(p-Chlorophenyl)-1,4-dihydro-2,6-dimethyl-4-(p-nitrophenyl)-3,5-pyridinedicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.140114227 u |
| Formula |
C25H25ClN2O6 |
| InChI |
InChI=1S/C25H25ClN2O6/c1-5-33-24(29)21-15(3)27(19-13-9-18(26)10-14-19)16(4)22(25(30)34-6-2)23(21)17-7-11-20(12-8-17)28(31)32/h7-14,23H,5-6H2,1-4H3 |
| InChIKey |
MAVOXAWQBCUAIB-UHFFFAOYSA-N |
| Molecular Weight |
484.936 g/mol |
| SMILES |
N(=O)(=O)C1=CC=C(C=C1)C1C(=C(N(C(=C1C(OCC)=O)C)C=1C=CC(=CC1)Cl)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) |
0.920453 |
