| SpectraBase Compound ID | IJUwUcW5wLG |
|---|---|
| InChI | InChI=1S/C6H10ClN/c7-5-3-1-2-4-6-8/h1-5H2 |
| InChIKey | PLKNMBFMTVKLEW-UHFFFAOYSA-N |
| Mol Weight | 131.61 g/mol |
| Molecular Formula | C6H10ClN |
| Exact Mass | 131.050177 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2pSVmyQ1lN0 |
|---|---|
| Name | 6-Chlorohexanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.050177026 u |
| Formula | C6H10ClN |
| InChI | InChI=1S/C6H10ClN/c7-5-3-1-2-4-6-8/h1-5H2 |
| InChIKey | PLKNMBFMTVKLEW-UHFFFAOYSA-N |
| SMILES | C(Cl)CCCCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.963821 |