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(3A-ALPHA,4-BETA,5-BETA,7A-ALPHA)-2,2-DIMETHYL-3A,4,5,7A-TETRAHYDRO-1,3-BENZODIOXOLE-4,5-DIOL
SpectraBase Compound ID H6QO0jTlfmQ
InChI InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey VCIXQRISGLSULF-WCTZXXKLSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8P5yF2diJKW
Name (3A-ALPHA,4-BETA,5-BETA,7A-ALPHA)-2,2-DIMETHYL-3A,4,5,7A-TETRAHYDRO-1,3-BENZODIOXOLE-4,5-DIOL
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5(10)7(11)8(6)13-9/h3-8,10-11H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey VCIXQRISGLSULF-WCTZXXKLSA-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 186.208 g/mol
Solvent CDCl3
Source File Reference UWBS769