| SpectraBase Compound ID | AJIFjJcaCKn |
|---|---|
| InChI | InChI=1S/C7H12ClNO/c8-6-4-2-1-3-5-7(9)10/h4,6H,1-3,5H2,(H2,9,10)/b6-4+ |
| InChIKey | KRNAUMBWFOOENC-GQCTYLIASA-N |
| Mol Weight | 161.63 g/mol |
| Molecular Formula | C7H12ClNO |
| Exact Mass | 161.060742 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kwz3iSwTG28 |
|---|---|
| Name | (E)-7-Chlorohept-6-enamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.060741709 u |
| Formula | C7H12ClNO |
| InChI | InChI=1S/C7H12ClNO/c8-6-4-2-1-3-5-7(9)10/h4,6H,1-3,5H2,(H2,9,10)/b6-4+ |
| InChIKey | KRNAUMBWFOOENC-GQCTYLIASA-N |
| Molecular Weight | 161.632 g/mol |
| SMILES | C(C\C=C\Cl)CCC(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986462 |