| SpectraBase Compound ID | 48h5xmabQN7 |
|---|---|
| InChI | InChI=1S/C8H11ClO/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-5H2 |
| InChIKey | SGDFHUSQKHXDNW-UHFFFAOYSA-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 | AUb8WWniyPB |
|---|---|
| Name | 1-(2-Chloranylethynyl)cyclohexan-1-ol |
| 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/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-5H2 |
| InChIKey | SGDFHUSQKHXDNW-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1)(O)C#CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875749 |