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2,7-Dioxabicyclo[4.2.1]nonane, 5-bromo-3-(1-bromopropyl)-8-(2-penten-4-ynyl)-, [1R-[1.alpha.,3.alpha.(S*),5.alpha.,6.alpha.,8.beta.(E)]]-

View entire compound with spectra: 1 MS (GC)

2,7-Dioxabicyclo[4.2.1]nonane, 5-bromo-3-(1-bromopropyl)-8-(2-penten-4-ynyl)-, [1R-[1.alpha.,3.alpha.(S*),5.alpha.,6.alpha.,8.beta.(E)]]-
SpectraBase Compound ID 3PQPRtJRLDJ
InChI InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(18-12)11(17)8-13(19-15)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10?,11-,12+,13+,14+,15-/m1/s1
InChIKey ZZAINMHCOZIURO-ANFDTMKZSA-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 6iLAtN8oC
Name 2,7-Dioxabicyclo[4.2.1]nonane, 5-bromo-3-(1-bromopropyl)-8-(2-penten-4-ynyl)-, [1R-[1.alpha.,3.alpha.(S*),5.alpha.,6.alpha.,8.beta.(E)]]-
CAS Registry Number 51918-97-9
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(18-12)11(17)8-13(19-15)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10?,11-,12+,13+,14+,15-/m1/s1
InChIKey ZZAINMHCOZIURO-ANFDTMKZSA-N
Molecular Weight 392.131 g/mol
SMILES [C@@]12(O[C@@](C[C@]([C@@](C2)([H])O[C@]1(C\C=C\C#C)[H])(Br)[H])(C(Br)CC)[H])[H]
SPLASH splash10-05fv-9611000000-f3b705528af4a7dba690
Source of Spectrum AJ-59-2954-1
Synonyms (1R,3S,5R,6S,8S)-5-bromo-3-(1-bromopropyl)-8-[(2E)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.1]nonane (3Z)-isoprelaurefucin Isoprelaurefucin
Wiley ID 1364520