| SpectraBase Spectrum ID |
6Vy0Gu7SsVg |
| Name |
4-(4-Ethoxy-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 |
317.126322711 u |
| Formula |
C17H19NO5 |
| InChI |
InChI=1S/C17H19NO5/c1-4-23-12-7-5-11(6-8-12)15-13(16(19)21-2)9-18-10-14(15)17(20)22-3/h5-10,15,18H,4H2,1-3H3 |
| InChIKey |
LSHZZZXMBXJLKJ-UHFFFAOYSA-N |
| Molecular Weight |
317.341 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CNC1)C1=CC=C(OCC)C=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905917 |
