| SpectraBase Compound ID | As15BBpnXnd |
|---|---|
| InChI | InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2 |
| InChIKey | NCDVDTXDSDVLPL-UHFFFAOYSA-N |
| Mol Weight | 116.59 g/mol |
| Molecular Formula | C6H9Cl |
| Exact Mass | 116.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1gCzomezthy |
|---|---|
| Name | Cyclohexene, 4-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.039277990 u |
| Formula | C6H9Cl |
| InChI | InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2 |
| InChIKey | NCDVDTXDSDVLPL-UHFFFAOYSA-N |
| Molecular Weight | 116.591 g/mol |
| SMILES | C1(Cl)CCC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984288 |