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3,9-Dioxabicyclo[4.2.1]nonane, 7-bromo-4-(1-bromopropyl)-2-(2-penten-4-ynyl)-, [1S-[1.alpha.,2.alpha.(E),4.beta.(R*),6.alpha.,7.beta.]]-
SpectraBase Compound ID CLSVLb0m5Za
InChI InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-8-11(17)14(19-15)9-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10?,11-,12+,13+,14-,15+/m1/s1
InChIKey FVHHRUHDUJVLNL-KDBYISTPSA-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 Hkb1G19hZk6
Name 3,9-Dioxabicyclo[4.2.1]nonane, 7-bromo-4-(1-bromopropyl)-2-(2-penten-4-ynyl)-, [1S-[1.alpha.,2.alpha.(E),4.beta.(R*),6.alpha.,7.beta.]]-
Alternate Name(s) (-)-(E)-Isolaureatin (1S,2S,4S,6R,7R)-7-bromo-4-(1-bromopropyl)-2-[(2E)-pent-2-en-4-yn-1-yl]-3,9-dioxabicyclo[4.2.1]nonane (3E)-isolaureatin 3e-isoaureatin
CAS Registry Number 112710-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20Br2O2
InChI InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-8-11(17)14(19-15)9-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10?,11-,12+,13+,14-,15+/m1/s1
InChIKey FVHHRUHDUJVLNL-KDBYISTPSA-N
Molecular Weight 392.131 g/mol
SMILES [C@@]12(O[C@]([C@@](O[C@@](C2)(C(Br)CC)[H])(C\C=C\C#C)[H])(C[C@]1(Br)[H])[H])[H]
SPLASH splash10-014m-9510000000-b09ef2ea2d335f5f70d5
Source of Spectrum AJ-60-3792-5
Wiley ID 1364519