![3-[4'-(Trifluoromethyl)phenyl]-pyridine](/api/spectrum/CQTUwenvBYj/structure.png?h=300&w=458 "3-[4'-(Trifluoromethyl)phenyl]-pyridine")
| SpectraBase Compound ID | BGFDFxYgG14 |
|---|---|
| InChI | InChI=1S/C12H8F3N/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10/h1-8H |
| InChIKey | NLEVCXWLTHEKMV-UHFFFAOYSA-N |
| Mol Weight | 223.2 g/mol |
| Molecular Formula | C12H8F3N |
| Exact Mass | 223.060884 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQTUwenvBYj |
|---|---|
| Name | 3-[4'-(Trifluoromethyl)phenyl]-pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.060883751 u |
| Formula | C12H8F3N |
| InChI | InChI=1S/C12H8F3N/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10/h1-8H |
| InChIKey | NLEVCXWLTHEKMV-UHFFFAOYSA-N |
| Molecular Weight | 223.198 g/mol |
| SMILES | C1=NC=CC=C1C1=CC=C(C=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848487 |