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4,4-ETHYLENEDIOXY-2,6,6-TRI-(D(3)-METHYL)-CYClOHEXANONE
SpectraBase Compound ID JQVEFaAdxWJ
InChI InChI=1S/C11H18O3/c1-8-6-11(13-4-5-14-11)7-10(2,3)9(8)12/h8H,4-7H2,1-3H3/i1D3,2D3,3D3
InChIKey MLQYTNPCCNIIQI-GQALSZNTSA-N
Mol Weight 207.32 g/mol
Molecular Formula C11H92H9O3
Exact Mass 207.182085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bi2khzGTXdV
Name 4,4-ETHYLENEDIOXY-2,6,6-TRI-(D(3)-METHYL)-CYClOHEXANONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H92H9O3
InChI InChI=1S/C11H18O3/c1-8-6-11(13-4-5-14-11)7-10(2,3)9(8)12/h8H,4-7H2,1-3H3/i1D3,2D3,3D3
InChIKey MLQYTNPCCNIIQI-GQALSZNTSA-N
Literature Reference Author N.LAMB,N.WAHAB,P.A.ROSE,A.C.SHAW,S.R.ABRAMS,A.J.CUTLER,P.J.S MITH,L.V.GUSTA,B.EWA
Literature Reference Citation PHYTOCHEM.,41,23(1996)
Literature Reference DOI 10.1016/0031-9422(95)00581-1
Molecular Weight 207.318 g/mol
Solvent CDCl3
Source File Reference UWLU3704