| SpectraBase Compound ID | 4qver0wPx1 |
|---|---|
| InChI | InChI=1S/C10H12N2/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-2H,3-7H2 |
| InChIKey | DFCDGWKPOLITPU-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C10H12N2 |
| Exact Mass | 160.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FGKlYGs4H8l |
|---|---|
| Name | 4-Cyano-4-(2-cyanoethyl)cyclohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.100048394 u |
| Formula | C10H12N2 |
| InChI | InChI=1S/C10H12N2/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-2H,3-7H2 |
| InChIKey | DFCDGWKPOLITPU-UHFFFAOYSA-N |
| Molecular Weight | 160.220 g/mol |
| SMILES | C1=CCC(CC1)(CCC#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87404 |