![1-[3-(Dicyclohexylamino)-1-propynyl]cyclohexanol](/api/spectrum/JOMOQ02oNp8/structure.png?h=300&w=458 "1-[3-(Dicyclohexylamino)-1-propynyl]cyclohexanol")
| SpectraBase Compound ID | EOU48CfJDzd |
|---|---|
| InChI | InChI=1S/C21H35NO/c23-21(15-8-3-9-16-21)17-10-18-22(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h19-20,23H,1-9,11-16,18H2 |
| InChIKey | GLLIUEYLPDSEAO-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOMOQ02oNp8 |
|---|---|
| Name | 1-[3-(Dicyclohexylamino)-1-propynyl]cyclohexanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c23-21(15-8-3-9-16-21)17-10-18-22(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h19-20,23H,1-9,11-16,18H2 |
| InChIKey | GLLIUEYLPDSEAO-UHFFFAOYSA-N |
| SMILES | OC1(C#CCN(C2CCCCC2)C2CCCCC2)CCCCC1 |