| SpectraBase Compound ID | 9wUoIOBfYkN |
|---|---|
| InChI | InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4,10H,5-7H2,1-3H3 |
| InChIKey | MPMJSCTZRSXSQB-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 | ApPDbuppHpQ |
|---|---|
| Name | 4-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)10-6-4-9(8-12)5-7-10/h4,10H,5-7H2,1-3H3 |
| InChIKey | MPMJSCTZRSXSQB-UHFFFAOYSA-N |
| Molecular Weight | 163.264 g/mol |
| SMILES | C1(=CCC(CC1)C(C)(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936036 |