| SpectraBase Spectrum ID |
362Q1qSJFlp |
| Name |
3,8-Dioxabicyclo[5.1.1]nonane, 6-bromo-4-(1-bromopropyl)-2-(2-penten-1-ynyl)-, [1S-[1.alpha.,2.beta.(E),4.alpha.(R*),6.alpha.,7.alpha.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.983005882 u |
| Formula |
C15H20Br2O2 |
| InChI |
InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(19-15)11(17)8-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10-,11-,12+,13+,14-,15+/m0/s1 |
| InChIKey |
QVSXXUNREJZJAN-QWUBUJLBSA-N |
| Molecular Weight |
392.131 g/mol |
| SMILES |
[C@]12(O[C@]([C@](C[C@@](O[C@@]2(C\C=C\C#C)[H])([C@@](Br)(CC)[H])[H])(Br)[H])(C1)[H])[H] |
![3,8-Dioxabicyclo[5.1.1]nonane, 6-bromo-4-(1-bromopropyl)-2-(2-penten-1-ynyl)-, [1S-[1.alpha.,2.beta.(E),4.alpha.(R*),6.alpha.,7.alpha.]]-](/api/spectrum/362Q1qSJFlp/structure.png?h=300&w=458 "3,8-Dioxabicyclo[5.1.1]nonane, 6-bromo-4-(1-bromopropyl)-2-(2-penten-1-ynyl)-, [1S-[1.alpha.,2.beta.(E),4.alpha.(R*),6.alpha.,7.alpha.]]-")
