| SpectraBase Compound ID | AMQmiA5PWB1 |
|---|---|
| InChI | InChI=1S/C11H8ClN/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H |
| InChIKey | CRQZOMYXIFKGSG-UHFFFAOYSA-N |
| Mol Weight | 189.64 g/mol |
| Molecular Formula | C11H8ClN |
| Exact Mass | 189.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6kH4r4dKoHc |
|---|---|
| Name | 3-(3-Chlorophenyl)pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.034526962 u |
| Formula | C11H8ClN |
| InChI | InChI=1S/C11H8ClN/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H |
| InChIKey | CRQZOMYXIFKGSG-UHFFFAOYSA-N |
| Molecular Weight | 189.645 g/mol |
| SMILES | C=1C(=CC=CN1)C=1C=C(C=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937903 |