| SpectraBase Compound ID | AfPiNk8txWK |
|---|---|
| InChI | InChI=1S/C6H7N/c1-2-3-4-5-6-7/h2-5H,1H3/b3-2+,5-4+ |
| InChIKey | NYKHMTWWXWMMHN-MQQKCMAXSA-N |
| Mol Weight | 93.13 g/mol |
| Molecular Formula | C6H7N |
| Exact Mass | 93.057849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hs03Kg88F7K |
|---|---|
| Name | 2,4-Hexadienenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 93.057849229 u |
| Formula | C6H7N |
| InChI | InChI=1S/C6H7N/c1-2-3-4-5-6-7/h2-5H,1H3/b3-2+,5-4+ |
| InChIKey | NYKHMTWWXWMMHN-MQQKCMAXSA-N |
| Molecular Weight | 93.129 g/mol |
| SMILES | C\C=C\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954831 |