| SpectraBase Compound ID | DzgnPKW1MgP |
|---|---|
| InChI | InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5H2 |
| InChIKey | SHQBSKNMMFNYGZ-UHFFFAOYSA-N |
| Mol Weight | 107.16 g/mol |
| Molecular Formula | C7H9N |
| Exact Mass | 107.073499 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I2EtD7FMJiU |
|---|---|
| Name | Cyclohex-2-ene-1-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 107.073499294 u |
| Formula | C7H9N |
| InChI | InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5H2 |
| InChIKey | SHQBSKNMMFNYGZ-UHFFFAOYSA-N |
| Molecular Weight | 107.156 g/mol |
| SMILES | C1(C=CCCC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861937 |