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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsYK2e8kR1J
Name (3A-ALPHA,4-ALPHA,5-BETA,7A-ALPHA)-5-BROMO-2,2-DIMETHYL-3A,4,5,7A-TETRAHYDRO-1,3-BENZODIOXOL-4-OL
Compound Number 9
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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
Literature Reference Author M.G.BANWELL,N.HADDAD,T.HUDLICKY,T.C.NUGENT,M.F.MACKAY,S.L.RI CHARDS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1779(1997)
Literature Reference DOI 10.1039/a700733g
Molecular Weight 249.104 g/mol
Solvent CDCl3
Source File Reference UWBS765