| SpectraBase Compound ID | Gr0mVMGbvYn |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-3-4-5-7-10-14(16-13(2)15)11-8-6-9-12-14/h3-6,8-9,11-12H2,1-2H3 |
| InChIKey | ZHDSGVWXUYVBED-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nXwSqceLiK |
|---|---|
| Name | 1-(1-Hexynyl)cyclohexanol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-3-4-5-7-10-14(16-13(2)15)11-8-6-9-12-14/h3-6,8-9,11-12H2,1-2H3 |
| InChIKey | ZHDSGVWXUYVBED-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C1C(CCCC1)(C#CCCCC)OC(C)=O |