| SpectraBase Spectrum ID |
8aF5G51Yn94 |
| Name |
Dimethyl 1,2-dihydro-4,6-dimethyl-2-[2'-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.118792549 u |
| Formula |
C18H18F3NO4 |
| InChI |
InChI=1S/C18H18F3NO4/c1-9-13(16(23)25-3)10(2)22-15(14(9)17(24)26-4)11-7-5-6-8-12(11)18(19,20)21/h5-8,15,22H,1-4H3 |
| InChIKey |
PCJYXSIFPBQOAB-UHFFFAOYSA-N |
| Molecular Weight |
369.340 g/mol |
| SMILES |
C1(=C(C(C(=O)OC)=C(NC1C=1C(C(F)(F)F)=CC=CC1)C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851834 |
![Dimethyl 1,2-dihydro-4,6-dimethyl-2-[2'-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate](/api/spectrum/8aF5G51Yn94/structure.png?h=300&w=458 "Dimethyl 1,2-dihydro-4,6-dimethyl-2-[2'-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate")
