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(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UmEIMkRauF
Name (TRANS)-3-METHYL-CYCLOHEXANOL;CONFORMERS-3AE,3EA;MIXTURE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H28O2
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
Literature Reference Author P.R.D.OLIVEIRA,R.RITTNER
Literature Reference Citation MAGN.RES.CHEM.,46,250(2008)
Literature Reference DOI 10.1002/mrc.2173
Molecular Weight 228.375 g/mol
Solvent CS2:CD2Cl2=9:1
Source File Reference UWIR17495