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E-2,6-DIDEUTERIO-1,4-DIMETHYL-4-NITRO-CYCLOHEXA-2,5-DIENOL
SpectraBase Compound ID D60xYGdEmrh
InChI InChI=1S/C8H11NO3/c1-7(9(11)12)3-5-8(2,10)6-4-7/h3-6,10H,1-2H3/t7-,8-/i5D,6D
InChIKey AXSROTCXXKNYEN-SUVCBQCZSA-N
Mol Weight 171.19 g/mol
Molecular Formula C8H92H2NO3
Exact Mass 171.086447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVkncYVlARk
Name E-2,6-DIDEUTERIO-1,4-DIMETHYL-4-NITRO-CYCLOHEXA-2,5-DIENOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H92H2NO3
InChI InChI=1S/C8H11NO3/c1-7(9(11)12)3-5-8(2,10)6-4-7/h3-6,10H,1-2H3/t7-,8-/i5D,6D
InChIKey AXSROTCXXKNYEN-SUVCBQCZSA-N
Literature Reference Author A.FISCHER,G.N.HENDERSON,T.A.SMYTH,F.W.B.EINSTEIN,R.E.COBBLED ICK
Literature Reference Citation CAN.J.CHEM.,59,584(1981)
Literature Reference DOI 10.1139/v81-084
Molecular Weight 171.193 g/mol
Solvent CDCl3
Source File Reference UWED4535