| SpectraBase Compound ID | 3ADp0FJ2eAr |
|---|---|
| InChI | InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3/t10-,11-/m0/s1 |
| InChIKey | QEJRJYDNWRJAMT-QWRGUYRKSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8bJ2lxTFoj |
|---|---|
| Name | Trans-2-(pent-1-ynyl)cyclohexanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3/t10-,11-/m0/s1 |
| InChIKey | QEJRJYDNWRJAMT-QWRGUYRKSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C(#CCCC)[C@@]1([C@@](O)(CCCC1)[H])[H] |