| SpectraBase Spectrum ID |
KQFR4M8kYOF |
| Name |
5-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-methyl-(E)-2-penten-4-ynoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.167793602 u |
| Formula |
C16H23NO3 |
| InChI |
InChI=1S/C16H23NO3/c1-3-20-16(19)8-12(2)4-5-14-10-17-7-6-13(14)9-15(17)11-18/h8,13-15,18H,3,6-7,9-11H2,1-2H3/b12-8+/t13-,14-,15+/m0/s1 |
| InChIKey |
NZRLUTWONLRUKB-CLAXBYMXSA-N |
| SMILES |
C1N2CC[C@@]([C@]1(C#C\C(=C\C(=O)OCC)C)[H])([H])C[C@@]2(CO)[H] |
![5-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-methyl-(E)-2-penten-4-ynoic acid ethyl ester](/api/spectrum/KQFR4M8kYOF/structure.png?h=300&w=458 "5-((1'S,2'R,4'S,5'S)-2'-Hydroxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-methyl-(E)-2-penten-4-ynoic acid ethyl ester")
