| SpectraBase Compound ID | DesN5IBiPX |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-6(9)11-8-5-3-2-4-7(8)10/h7-8,10H,2-5H2,1H3/t7-,8-/m1/s1 |
| InChIKey | GCPZLJNKHNJVGF-HTQZYQBOSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80kZgLRMZdF |
|---|---|
| Name | Trans-2-hydroxycyclohexanyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-6(9)11-8-5-3-2-4-7(8)10/h7-8,10H,2-5H2,1H3/t7-,8-/m1/s1 |
| InChIKey | GCPZLJNKHNJVGF-HTQZYQBOSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(O[C@]1([C@](O)(CCCC1)[H])[H])(=O)C |