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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.]]-
SpectraBase Compound ID A8EA1vQEVOk
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
Mol Weight 392.13 g/mol
Molecular Formula C15H20Br2O2
Exact Mass 389.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChTYNBW9dxc
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.]]-
CAS Registry Number 112710-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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]
SPLASH splash10-014l-9400000000-b8a606111c356da664c0
Source of Spectrum AJ-60-3792-4
Synonyms (+)-(E)-laureatin (3E)-laureatin
Wiley ID 1364518