| SpectraBase Compound ID | AcQVnfoTxff |
|---|---|
| InChI | InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2 |
| InChIKey | VLRQRRQHXZCEDL-UHFFFAOYSA-N |
| Mol Weight | 121.18 g/mol |
| Molecular Formula | C8H11N |
| Exact Mass | 121.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HiS62Tiq1w |
|---|---|
| Name | 2-Cyclohexylideneacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.089149358 u |
| Formula | C8H11N |
| InChI | InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2 |
| InChIKey | VLRQRRQHXZCEDL-UHFFFAOYSA-N |
| Molecular Weight | 121.183 g/mol |
| SMILES | C(C#N)=C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946529 |