![(2R)-2-[(1S)-1-hydroxyundecyl]-1-cyclopentanone](/api/spectrum/FmED5atH4bI/structure.png?h=300&w=458 "(2R)-2-[(1S)-1-hydroxyundecyl]-1-cyclopentanone")
| SpectraBase Compound ID | 9m35n0WNYyk |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-12-15(17)14-11-10-13-16(14)18/h14-15,17H,2-13H2,1H3/t14-,15+/m1/s1 |
| InChIKey | KENQSXZRJRQQTN-CABCVRRESA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmED5atH4bI |
|---|---|
| Name | (2R)-2-[(1S)-1-Hydroxyundecyl]-1-cyclopentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-12-15(17)14-11-10-13-16(14)18/h14-15,17H,2-13H2,1H3/t14-,15+/m1/s1 |
| InChIKey | KENQSXZRJRQQTN-CABCVRRESA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | [C@@]1(C(=O)CCC1)([C@@](O)(CCCCCCCCCC)[H])[H] |