| SpectraBase Compound ID | DQcPefygg9r |
|---|---|
| InChI | InChI=1S/C8H11ClO/c9-6-5-7-3-1-2-4-8(7)10/h5-7H,1-4H2/b6-5- |
| InChIKey | LJZPBPWMTOSBTE-WAYWQWQTSA-N |
| Mol Weight | 158.63 g/mol |
| Molecular Formula | C8H11ClO |
| Exact Mass | 158.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JB8cu0qdnyF |
|---|---|
| Name | Cyclohexanone, 2-(2-chloroethenyl)-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.049842673 u |
| Formula | C8H11ClO |
| InChI | InChI=1S/C8H11ClO/c9-6-5-7-3-1-2-4-8(7)10/h5-7H,1-4H2/b6-5- |
| InChIKey | LJZPBPWMTOSBTE-WAYWQWQTSA-N |
| SMILES | C1(C(\C=C/Cl)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949539 |