| SpectraBase Compound ID | KFUdUgsIxjy |
|---|---|
| InChI | InChI=1S/C9H8ClN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3 |
| InChIKey | LYCNAJGWLQJGPJ-UHFFFAOYSA-N |
| Mol Weight | 165.62 g/mol |
| Molecular Formula | C9H8ClN |
| Exact Mass | 165.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9vKpyFyHrze |
|---|---|
| Name | 4-Chlori-2,6-dimethylbenzebonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.034526962 u |
| Formula | C9H8ClN |
| InChI | InChI=1S/C9H8ClN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3 |
| InChIKey | LYCNAJGWLQJGPJ-UHFFFAOYSA-N |
| Molecular Weight | 165.623 g/mol |
| SMILES | C=1(C(=CC(=CC1C)Cl)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823669 |