| SpectraBase Compound ID | LkbteUhnDSG |
|---|---|
| InChI | InChI=1S/C11H4F5N/c12-7-6(5-2-1-3-17-4-5)8(13)10(15)11(16)9(7)14/h1-4H |
| InChIKey | YNALBJHMRCIOHW-UHFFFAOYSA-N |
| Mol Weight | 245.15 g/mol |
| Molecular Formula | C11H4F5N |
| Exact Mass | 245.02639 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KpfVnVsRtZx |
|---|---|
| Name | 3-(Perfluorophenyl)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.026389948 u |
| Formula | C11H4F5N |
| InChI | InChI=1S/C11H4F5N/c12-7-6(5-2-1-3-17-4-5)8(13)10(15)11(16)9(7)14/h1-4H |
| InChIKey | YNALBJHMRCIOHW-UHFFFAOYSA-N |
| Molecular Weight | 245.152 g/mol |
| SMILES | C=1C=NC=C(C1)C=1C(=C(C(=C(C1F)F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818517 |