| SpectraBase Spectrum ID |
2O6KK27A3aG |
| Name |
1-(4-Methylphenyl)-4-[3-(trifluoromethyl)phenyl]-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 |
459.165742742 u |
| Formula |
C25H24F3NO4 |
| InChI |
InChI=1S/C25H24F3NO4/c1-4-32-23(30)20-14-29(19-11-9-16(3)10-12-19)15-21(24(31)33-5-2)22(20)17-7-6-8-18(13-17)25(26,27)28/h6-15,22H,4-5H2,1-3H3 |
| InChIKey |
ARBVWBDRKFKWCN-UHFFFAOYSA-N |
| Molecular Weight |
459.465 g/mol |
| SMILES |
C=1(C(C(C(=O)OCC)=CN(C1)C=1C=CC(=CC1)C)C1=CC(C(F)(F)F)=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883021 |
![1-(4-Methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester](/api/spectrum/2O6KK27A3aG/structure.png?h=300&w=458 "1-(4-Methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester")
