![1-[1-(Phenylethynyl)cyclohexyl]piperidine](/api/spectrum/8Zn9jNKDfiW/structure.png?h=300&w=458 "1-[1-(Phenylethynyl)cyclohexyl]piperidine")
| SpectraBase Compound ID | I5Xj5QEr8UT |
|---|---|
| InChI | InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-15-19(13-6-2-7-14-19)20-16-8-3-9-17-20/h1,4-5,10-11H,2-3,6-9,13-14,16-17H2 |
| InChIKey | KQCNZPHZQGRNGL-UHFFFAOYSA-N |
| Mol Weight | 267.42 g/mol |
| Molecular Formula | C19H25N |
| Exact Mass | 267.1987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Zn9jNKDfiW |
|---|---|
| Name | 1-[1-(Phenylethynyl)cyclohexyl]piperidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.198699809 u |
| Formula | C19H25N |
| InChI | InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-15-19(13-6-2-7-14-19)20-16-8-3-9-17-20/h1,4-5,10-11H,2-3,6-9,13-14,16-17H2 |
| InChIKey | KQCNZPHZQGRNGL-UHFFFAOYSA-N |
| Molecular Weight | 267.416 g/mol |
| SMILES | C1N(CCCC1)C1(CCCCC1)C#CC=1C=CC=CC1 |