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(TRANS)-3-CHLORO-CYCLOHEXANOL;CONFORMERS-1AE,1EA;MIXTURE
SpectraBase Compound ID 9CxsAxwExOQ
InChI InChI=1S/2C6H11ClO/c2*7-5-2-1-3-6(8)4-5/h2*5-6,8H,1-4H2/t2*5-,6-/m10/s1
InChIKey ZQULDNZPCFIBEV-JLCFLTIHSA-N
Mol Weight 269.21 g/mol
Molecular Formula C12H22Cl2O2
Exact Mass 268.099685 g/mol
Enantiomer InChIKey ZQULDNZPCFIBEV-YLEISYFBSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CS2:CD2Cl2=9:1
Title Journal or Book Year
Conformational equilibria oftrans -3-X-cyclohexanols (X = Cl, Br, CH3 and OCH3). A low temperature NMR study and theoretical calculations Magnetic Resonance in Chemistry 2008

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