| SpectraBase Compound ID | CitADq45wmB |
|---|---|
| InChI | InChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h4-7H,2-3H2,1H3/b5-4+,7-6- |
| InChIKey | LINGTGQSKSNUOB-DEQVHDEQSA-N |
| Mol Weight | 121.18 g/mol |
| Molecular Formula | C8H11N |
| Exact Mass | 121.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D4wPqXcGeQN |
|---|---|
| Name | (2Z,4E)-2,4-Octadienenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.089149358 u |
| Formula | C8H11N |
| InChI | InChI=1S/C8H11N/c1-2-3-4-5-6-7-8-9/h4-7H,2-3H2,1H3/b5-4+,7-6- |
| InChIKey | LINGTGQSKSNUOB-DEQVHDEQSA-N |
| Molecular Weight | 121.183 g/mol |
| SMILES | C(#N)\C=C/C=C/CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90717 |