| SpectraBase Spectrum ID |
7S611vUdv1m |
| Name |
4-(2-Chloro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.061135631 u |
| Formula |
C15H14ClNO4 |
| InChI |
InChI=1S/C15H14ClNO4/c1-20-14(18)10-7-17-8-11(15(19)21-2)13(10)9-5-3-4-6-12(9)16/h3-8,13,17H,1-2H3 |
| InChIKey |
OXIGQRYDADOYEB-UHFFFAOYSA-N |
| Molecular Weight |
307.733 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CNC1)C1=C(Cl)C=CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981718 |
