| SpectraBase Compound ID | DPa2Gcop8UB |
|---|---|
| InChI | InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h5,10H,4,6-7H2,1-3H3 |
| InChIKey | YLQUQSKHZIINOS-UHFFFAOYSA-N |
| Mol Weight | 163.26 g/mol |
| Molecular Formula | C11H17N |
| Exact Mass | 163.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F81oSyCfhUW |
|---|---|
| Name | 5-Tert-butyl-1-cyclohexenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.136099551 u |
| Formula | C11H17N |
| InChI | InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h5,10H,4,6-7H2,1-3H3 |
| InChIKey | YLQUQSKHZIINOS-UHFFFAOYSA-N |
| Molecular Weight | 163.264 g/mol |
| SMILES | C1(=CCCC(C1)C(C)(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965472 |