| SpectraBase Spectrum ID |
2QHerNuskG3 |
| Name |
Dimethyl 4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.087492420 u |
| Formula |
C16H14F3NO4 |
| InChI |
InChI=1S/C16H14F3NO4/c1-23-14(21)11-7-20-8-12(15(22)24-2)13(11)9-3-5-10(6-4-9)16(17,18)19/h3-8,13,20H,1-2H3 |
| InChIKey |
IITHIXWBSQNBAI-UHFFFAOYSA-N |
| Molecular Weight |
341.286 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CNC1)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970066 |
![Dimethyl 4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate](/api/spectrum/2QHerNuskG3/structure.png?h=300&w=458 "Dimethyl 4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate")
