| SpectraBase Compound ID | 8ZPlI0Nzbg4 |
|---|---|
| InChI | InChI=1S/C9H4ClN/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H |
| InChIKey | GITZMVGOSJSMLD-UHFFFAOYSA-N |
| Mol Weight | 161.59 g/mol |
| Molecular Formula | C9H4ClN |
| Exact Mass | 161.003227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8mp3HCNcAQs |
|---|---|
| Name | 2-(Chloroethynyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.003226833 u |
| Formula | C9H4ClN |
| InChI | InChI=1S/C9H4ClN/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H |
| InChIKey | GITZMVGOSJSMLD-UHFFFAOYSA-N |
| Molecular Weight | 161.591 g/mol |
| SMILES | C(#CCl)C=1C(C#N)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936937 |