| SpectraBase Spectrum ID |
IbsoMDkFLsG |
| Name |
1-(p-Chlorophenyl)-1,4-dihydro-2,6-dimethyl-4-p-tolyl-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 |
453.170686082 u |
| Formula |
C26H28ClNO4 |
| InChI |
InChI=1S/C26H28ClNO4/c1-6-31-25(29)22-17(4)28(21-14-12-20(27)13-15-21)18(5)23(26(30)32-7-2)24(22)19-10-8-16(3)9-11-19/h8-15,24H,6-7H2,1-5H3 |
| InChIKey |
GEKYQYVUCHFXHB-UHFFFAOYSA-N |
| Molecular Weight |
453.966 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)N1C(=C(C(C(=C1C)C(=O)OCC)C=1C=CC(=CC1)C)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.877357 |
