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(TRANS)-3-METHOXY-CYCLOHEXANOL;CONFORMERS-4AE,4EA;MIXTURE
SpectraBase Compound ID 2DpSdOKvGK5
InChI InChI=1S/2C7H14O2/c2*1-9-7-4-2-3-6(8)5-7/h2*6-8H,2-5H2,1H3/t2*6-,7-/m10/s1
InChIKey XQPJAALNRYKVAK-IBPYSEMRSA-N
Mol Weight 260.37 g/mol
Molecular Formula C14H28O4
Exact Mass 260.198759 g/mol
Enantiomer InChIKey XQPJAALNRYKVAK-NKWNYYKTSA-N
Copyright Copyright © 2016-2025 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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