| SpectraBase Compound ID | Ko1NlDDMgFw |
|---|---|
| InChI | InChI=1S/C6H8ClN/c7-5-3-1-2-4-6-8/h2,4H,1,3,5H2/b4-2+ |
| InChIKey | DRPHMXCIFLKROI-DUXPYHPUSA-N |
| Mol Weight | 129.59 g/mol |
| Molecular Formula | C6H8ClN |
| Exact Mass | 129.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JTvrjW9HBsm |
|---|---|
| Name | (E)-6-Chloro-2-hexenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.034526962 u |
| Formula | C6H8ClN |
| InChI | InChI=1S/C6H8ClN/c7-5-3-1-2-4-6-8/h2,4H,1,3,5H2/b4-2+ |
| InChIKey | DRPHMXCIFLKROI-DUXPYHPUSA-N |
| Molecular Weight | 129.590 g/mol |
| SMILES | C(\C=C\CCCCl)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891693 |