![(3E)-4-methyl-7-[2-(pyridin-3-yl)piperidin-1-yl]hept-3-en-5-yn-1-ol](/api/spectrum/2YPH1OutfTw/structure.png?h=300&w=458 "(3E)-4-methyl-7-[2-(pyridin-3-yl)piperidin-1-yl]hept-3-en-5-yn-1-ol")
| SpectraBase Compound ID | 3ijb8YeFJ20 |
|---|---|
| InChI | InChI=1S/C18H24N2O/c1-16(8-6-14-21)7-5-13-20-12-3-2-10-18(20)17-9-4-11-19-15-17/h4,8-9,11,15,18,21H,2-3,6,10,12-14H2,1H3/b16-8+ |
| InChIKey | MFMOSQGXJWPKIG-LZYBPNLTSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C18H24N2O |
| Exact Mass | 284.188863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YPH1OutfTw |
|---|---|
| Name | (3E)-4-Methyl-7-[2-(pyridin-3-yl)piperidin-1-yl]hept-3-en-5-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.188863400 u |
| Formula | C18H24N2O |
| InChI | InChI=1S/C18H24N2O/c1-16(8-6-14-21)7-5-13-20-12-3-2-10-18(20)17-9-4-11-19-15-17/h4,8-9,11,15,18,21H,2-3,6,10,12-14H2,1H3/b16-8+ |
| InChIKey | MFMOSQGXJWPKIG-LZYBPNLTSA-N |
| Molecular Weight | 284.403 g/mol |
| SMILES | C1CC(N(CC#C\C(=C\CCO)C)CC1)C=1C=NC=CC1 |