| SpectraBase Spectrum ID |
C4hnUCYvMhP |
| Name |
2-Butenedioic acid, 2-methyl-, 4-ethyl 1-[8-methyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester, [1R-[1.alpha.,3.beta.(E),5.alpha.,6.alpha.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.199487652 u |
| Formula |
C20H29NO6 |
| InChI |
InChI=1S/C20H29NO6/c1-6-25-18(22)8-13(4)20(24)26-15-9-14-10-17(16(11-15)21(14)5)27-19(23)7-12(2)3/h7-8,14-17H,6,9-11H2,1-5H3/b13-8+/t14-,15-,16-,17+/m1/s1 |
| InChIKey |
LTHNNGQCWYQQLA-YIVQKJEISA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
[C@]12(N([C@@](C[C@@]2(OC(C=C(C)C)=O)[H])(C[C@@](OC(\C(=C\C(=O)OCC)C)=O)(C1)[H])[H])C)[H] |
![2-Butenedioic acid, 2-methyl-, 4-ethyl 1-[8-methyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester, [1R-[1.alpha.,3.beta.(E),5.alpha.,6.alpha.]]-](/api/spectrum/C4hnUCYvMhP/structure.png?h=300&w=458 "2-Butenedioic acid, 2-methyl-, 4-ethyl 1-[8-methyl-6-[(3-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester, [1R-[1.alpha.,3.beta.(E),5.alpha.,6.alpha.]]-")
