| SpectraBase Compound ID | DOyoMH5ifoe |
|---|---|
| InChI | InChI=1S/C11H14N2/c12-8-11(9-13)10-6-4-2-1-3-5-7-10/h1-7H2 |
| InChIKey | KEAAYSLVXYFMHV-UHFFFAOYSA-N |
| Mol Weight | 174.25 g/mol |
| Molecular Formula | C11H14N2 |
| Exact Mass | 174.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3zmpwnHXUEu |
|---|---|
| Name | Propanedinitrile, cyclooctylidene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.115698459 u |
| Formula | C11H14N2 |
| InChI | InChI=1S/C11H14N2/c12-8-11(9-13)10-6-4-2-1-3-5-7-10/h1-7H2 |
| InChIKey | KEAAYSLVXYFMHV-UHFFFAOYSA-N |
| Molecular Weight | 174.247 g/mol |
| SMILES | C1CCC(CCCC1)=C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866019 |