| SpectraBase Compound ID | 7Tan0KUqq64 |
|---|---|
| InChI | InChI=1S/C12H18N2/c13-8-4-7-12(10-14)9-11-5-2-1-3-6-11/h11-12H,1-7,9H2 |
| InChIKey | TXMRWGDDKFCJNL-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C12H18N2 |
| Exact Mass | 190.146999 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B9HuqEfPHgI |
|---|---|
| Name | 2-Cyclohexylmethylpentadicarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.146998588 u |
| Formula | C12H18N2 |
| InChI | InChI=1S/C12H18N2/c13-8-4-7-12(10-14)9-11-5-2-1-3-6-11/h11-12H,1-7,9H2 |
| InChIKey | TXMRWGDDKFCJNL-UHFFFAOYSA-N |
| Molecular Weight | 190.290 g/mol |
| SMILES | C(#N)C(CC1CCCCC1)CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844688 |