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BBDMQAQITWQOIN-LXGUWJNJSA-N
SpectraBase Compound ID 3bz6k9zZNIS
InChI InChI=1S/C9H13BrO3/c1-9(2)12-6-4-3-5(11)7(10)8(6)13-9/h3-8,11H,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKey BBDMQAQITWQOIN-LXGUWJNJSA-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 CQMRkfxIl5c
Name (3A-ALPHA,4-BETA,5-ALPHA,7A-ALPHA)-4-BROMO-2,2-DIMETHYL-3A,4,5,7A-TETRAHYDRO-1,3-BENZODIOXOL-5-OL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13BrO3
InChI InChI=1S/C9H13BrO3/c1-9(2)12-6-4-3-5(11)7(10)8(6)13-9/h3-8,11H,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKey BBDMQAQITWQOIN-LXGUWJNJSA-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 UWBS764