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4alpha,8alpha,9beta,10alpha-Tetrabromo-1,3-dihydroxy-2-oxa-adamantane
SpectraBase Compound ID LIfCuOIOQy9
InChI InChI=1S/C9H10Br4O3/c10-4-2-1-3-6(12)8(4,14)16-9(15,5(2)11)7(3)13/h2-7,14-15H,1H2/t2?,3?,4-,5?,6+,7?,8?,9?
InChIKey RKQYXDBENZNGII-TVAYIAEMSA-N
Mol Weight 485.79 g/mol
Molecular Formula C9H10Br4O3
Exact Mass 481.736346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AySPC8DjhAD
Name 4beta,8beta,9beta,10alpha-Tetrabromo-1,3-dihydroxy-2-oxa-adamantane
Alternate Name(s) (1R,3R,4R,8R,9R,10S)-4,8,9,10-tetrabromo-2-oxaadamantane-1,3-diol
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Formula C9H10Br4O3
InChI InChI=1S/C9H10Br4O3/c10-4-2-1-3-6(12)8(4,14)16-9(15,5(2)11)7(3)13/h2-7,14-15H,1H2/t2?,3?,4-,5?,6+,7?,8?,9?
InChIKey RKQYXDBENZNGII-TVAYIAEMSA-N
Literature Reference DOI 10.1002/hlca.19670500422
Molecular Weight 485.792 g/mol
SMILES OC12[C@](C3CC(C(C(C3Br)(O1)O)Br)[C@]2(Br)[H])(Br)[H]
SPLASH splash10-00mo-4982100000-210d476ae96a2ac91db3
Source of Spectrum H-50-1392-8
Wiley ID 1799801