| SpectraBase Compound ID | FtrwaUa4fTQ |
|---|---|
| InChI | InChI=1S/C6H9ClN2/c1-3-5(7)6(4-8)9-2/h9H,3H2,1-2H3/b6-5+ |
| InChIKey | ZHSAPBIUSNAXPM-AATRIKPKSA-N |
| Mol Weight | 144.61 g/mol |
| Molecular Formula | C6H9ClN2 |
| Exact Mass | 144.045426 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4b0KBCaNqn8 |
|---|---|
| Name | 2-Pentenenitrile, 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 | 144.045425998 u |
| Formula | C6H9ClN2 |
| InChI | InChI=1S/C6H9ClN2/c1-3-5(7)6(4-8)9-2/h9H,3H2,1-2H3/b6-5+ |
| InChIKey | ZHSAPBIUSNAXPM-AATRIKPKSA-N |
| SMILES | C(\C(=C\(Cl)CC)NC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844725 |