| SpectraBase Spectrum ID |
KNePCOxKSY7 |
| Name |
4-[(E)-2-Phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.147058156 u |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-3-23-18(21)16-12-20-13-17(19(22)24-4-2)15(16)11-10-14-8-6-5-7-9-14/h5-13,15,20H,3-4H2,1-2H3/b11-10+ |
| InChIKey |
HACWOKUHOSYLCZ-ZHACJKMWSA-N |
| Molecular Weight |
327.380 g/mol |
| SMILES |
C=1(C(C(C(=O)OCC)=CNC1)\C=C\C=1C=CC=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976785 |
![4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester](/api/spectrum/KNePCOxKSY7/structure.png?h=300&w=458 "4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester")
