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(3a.alpha.,4.alpha.,5.beta.,7a.alpha.)-5-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
SpectraBase Compound ID BREmLybSsKn
InChI InChI=1S/C9H13BrO3/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,11H,1-2H3/t5-,6-,7+,8-/m1/s1
InChIKey FERQGOJEOFDJMU-OOJXKGFFSA-N
Mol Weight 249.1 g/mol
Molecular Formula C9H13BrO3
Exact Mass 248.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AovpTPglrAy
Name (3a.alpha.,4.alpha.,5.beta.,7a.alpha.)-5-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
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Formula C9H13BrO3
InChI InChI=1S/C9H13BrO3/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,11H,1-2H3/t5-,6-,7+,8-/m1/s1
InChIKey FERQGOJEOFDJMU-OOJXKGFFSA-N
Molecular Weight 249.104 g/mol
SMILES O[C@@]1([C@@]2(OC(C)(C)O[C@@]2(C=C[C@]1(Br)[H])[H])[H])[H]
SPLASH splash10-001d-2690000000-fe7ae30dddee8f754063
Source of Spectrum KC-0-1785-9
Synonyms (3aS,4R,5R,7aR)-5-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol (3aS,4S,5S,7aR)-5-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol (3aS,4R,5R,7aR)-5-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Wiley ID 822666