| SpectraBase Spectrum ID |
Ha9dlQ6Jt0S |
| Name |
(3E)-4-Methyl-7-[2-(pyridin-3-yl)piperidin-1-yl]hept-3-en-5-yn-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936537 |
![(3E)-4-methyl-7-[2-(pyridin-3-yl)piperidin-1-yl]hept-3-en-5-yn-1-ol](/api/spectrum/Ha9dlQ6Jt0S/structure.png?h=300&w=458 "(3E)-4-methyl-7-[2-(pyridin-3-yl)piperidin-1-yl]hept-3-en-5-yn-1-ol")
