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(TRANS)-3-METHYL-CYCLOHEXANOL;CONFORMERS-3AE,3EA;MIXTURE

Compound with spectra: 1 NMR

(TRANS)-3-METHYL-CYCLOHEXANOL;CONFORMERS-3AE,3EA;MIXTURE
SpectraBase Compound ID Bnc8SmAZIDI
InChI InChI=1S/2C7H14O/c2*1-6-3-2-4-7(8)5-6/h2*6-8H,2-5H2,1H3/t2*6-,7-/m10/s1
InChIKey LMXLTRMVFQQCFG-IBPYSEMRSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol
Enantiomer InChIKey LMXLTRMVFQQCFG-NKWNYYKTSA-N

View Spectrum of (TRANS)-3-METHYL-CYCLOHEXANOL;CONFORMERS-3AE,3EA;MIXTURE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CS2:CD2Cl2=9:1
3-Methylcyclohexanol
4-Octanol, 2-methyl-
cis-1,3-Dimethylcyclohexane
2-Heptanol, 4-methyl-
4-Nonanol, 2-methyl-
3-Heptanol, 5-methyl-
ERYTHRO-5-METHYL-3-HEPTANOL
THREO-5-METHYL-3-HEPTANOL
Cyclohexanol, 3,5-dimethyl-
2-methyl-4-heptanol
5-cis-Methyl-1R,3-cis-cyclohexanediol
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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