| SpectraBase Compound ID | 8Gws9hy16Wi |
|---|---|
| InChI | InChI=1S/C9H15Cl2N/c10-7-9(11)8-12-5-3-1-2-4-6-12/h8H,1-7H2/b9-8- |
| InChIKey | WHLMOXZXMDOKSX-HJWRWDBZSA-N |
| Mol Weight | 208.13 g/mol |
| Molecular Formula | C9H15Cl2N |
| Exact Mass | 207.058155 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9NWFtXqILYu |
|---|---|
| Name | 1H-Azepine, 1-(2,3-dichloro-1-propenyl)hexahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.058154887 u |
| Formula | C9H15Cl2N |
| InChI | InChI=1S/C9H15Cl2N/c10-7-9(11)8-12-5-3-1-2-4-6-12/h8H,1-7H2/b9-8- |
| InChIKey | WHLMOXZXMDOKSX-HJWRWDBZSA-N |
| Molecular Weight | 208.132 g/mol |
| SMILES | C(\C(=C\N1CCCCCC1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85733 |