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(3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-4,7-Dibromo-2,2-dimethyl-3a,4, 7,7a-tetrahydro-1,3-benzodioxole
SpectraBase Compound ID 5eIeVqjBGu7
InChI InChI=1S/C9H12Br2O2/c1-9(2)12-7-5(10)3-4-6(11)8(7)13-9/h3-8H,1-2H3/t5-,6+,7+,8-
InChIKey UPYXCTISXLUQOB-SOSBWXJGSA-N
Mol Weight 312.0 g/mol
Molecular Formula C9H12Br2O2
Exact Mass 309.920406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8iVhX6evf4
Name (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-4,7-Dibromo-2,2-dimethyl-3a,4, 7,7a-tetrahydro-1,3-benzodioxole
Alternate Name(s) (3aR,4R,7S,7aS)-4,7-dibromo-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole
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Formula C9H12Br2O2
InChI InChI=1S/C9H12Br2O2/c1-9(2)12-7-5(10)3-4-6(11)8(7)13-9/h3-8H,1-2H3/t5-,6+,7+,8-
InChIKey UPYXCTISXLUQOB-SOSBWXJGSA-N
Molecular Weight 312.001 g/mol
SMILES [C@@]12([C@@](OC(O2)(C)C)([C@](Br)(C=C[C@@]1(Br)[H])[H])[H])[H]
SPLASH splash10-0007-9410000000-d6982e5b45512b064a89
Source of Spectrum B-44-945-5
Wiley ID 1310969