| SpectraBase Compound ID | 42IP67bxMit |
|---|---|
| InChI | InChI=1S/C8H12IN/c9-8(6-7-10)4-2-1-3-5-8/h1-6H2 |
| InChIKey | LNJUYYBSYFAGRL-UHFFFAOYSA-N |
| Mol Weight | 249.1 g/mol |
| Molecular Formula | C8H12IN |
| Exact Mass | 249.001444 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4JoBIazKsJQ |
|---|---|
| Name | 2-Iodo-2-cyanomethylcyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.001444390 u |
| Formula | C8H12IN |
| InChI | InChI=1S/C8H12IN/c9-8(6-7-10)4-2-1-3-5-8/h1-6H2 |
| InChIKey | LNJUYYBSYFAGRL-UHFFFAOYSA-N |
| Molecular Weight | 249.095 g/mol |
| SMILES | C1C(CCCC1)(CC#N)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874595 |