| SpectraBase Compound ID | 8MMjDniEthQ |
|---|---|
| InChI | InChI=1S/C7H11ClN2/c1-3-4-6(8)7(5-9)10-2/h10H,3-4H2,1-2H3/b7-6+ |
| InChIKey | KQNABXKFKZBDLD-VOTSOKGWSA-N |
| Mol Weight | 158.63 g/mol |
| Molecular Formula | C7H11ClN2 |
| Exact Mass | 158.061076 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhjWAPfTNLj |
|---|---|
| Name | 2-Hexenenitrile, 3-chloro-2-(methylamino)-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.061076062 u |
| Formula | C7H11ClN2 |
| InChI | InChI=1S/C7H11ClN2/c1-3-4-6(8)7(5-9)10-2/h10H,3-4H2,1-2H3/b7-6+ |
| InChIKey | KQNABXKFKZBDLD-VOTSOKGWSA-N |
| Molecular Weight | 158.632 g/mol |
| SMILES | C(\C(=C\(Cl)CCC)NC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882094 |