| SpectraBase Spectrum ID |
GFD5bHoZKdW |
| Name |
1-(3,5-Dimethylphenyl)-4-(2-ethoxyphenyl)-4H-pyridine-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 |
449.220223097 u |
| Formula |
C27H31NO5 |
| InChI |
InChI=1S/C27H31NO5/c1-6-31-24-12-10-9-11-21(24)25-22(26(29)32-7-2)16-28(17-23(25)27(30)33-8-3)20-14-18(4)13-19(5)15-20/h9-17,25H,6-8H2,1-5H3 |
| InChIKey |
YIDJSMZQNWDTOC-UHFFFAOYSA-N |
| Molecular Weight |
449.547 g/mol |
| SMILES |
C=1(C(C(C(=O)OCC)=CN(C1)C1=CC(C)=CC(=C1)C)C1=C(OCC)C=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882166 |
