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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90GD9Qn0pCd
Name (TRANS)-3-CHLORO-CYCLOHEXANOL;CONFORMERS-1AE,1EA;MIXTURE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H22Cl2O2
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
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 269.211 g/mol
Solvent CS2:CD2Cl2=9:1
Source File Reference UWIR17489