| SpectraBase Spectrum ID |
HctqNAKKxO3 |
| Name |
5-((1'S,2'S,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO4 |
| InChI |
InChI=1S/C22H25NO4/c1-16(24)27-15-21-12-19-10-11-23(21)14-20(19)9-8-18(13-22(25)26-2)17-6-4-3-5-7-17/h3-7,13,19-21H,10-12,14-15H2,1-2H3/b18-13-/t19-,20-,21-/m0/s1 |
| InChIKey |
UWBXAYUBGRDWSO-LBSJDJFWSA-N |
| Molecular Weight |
367.445 g/mol |
| SMILES |
C(#C[C@]1(CN2CC[C@]1(C[C@]2(COC(=O)C)[H])[H])[H])\C(=C\C(=O)OC)c1ccccc1 |
| SPLASH |
splash10-066u-0029000000-9519259ad5da7f87145c |
| Source of Spectrum |
F-65-6233-10c |
| Wiley ID |
1680201 |
![5-((1'S,2'S,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester](/api/spectrum/HctqNAKKxO3/structure.png?h=300&w=458 "5-((1'S,2'S,4'S,5'S)-2'-Acetoxymethyl-1'-azabicyclo[2.2.2]oct-5'-yl)-3-phenyl-(E)-2-penten-4-ynoic acid methyl ester")
