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2-ALPHA-TERT.-BUTYL-6-BETA-ETHYL-2-BETA,6-ALPHA-DIMETHYL-1,3-DIOXAN-4-ONE
SpectraBase Compound ID 2LLFZPuSVwJ
InChI InChI=1S/C12H22O3/c1-7-11(5)8-9(13)14-12(6,15-11)10(2,3)4/h7-8H2,1-6H3/t11-,12-/m1/s1
InChIKey QZHRRGKZITWNNO-VXGBXAGGSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MwZwpGeZeu
Name 2-ALPHA-TERT.-BUTYL-6-BETA-ETHYL-2-BETA,6-ALPHA-DIMETHYL-1,3-DIOXAN-4-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7-11(5)8-9(13)14-12(6,15-11)10(2,3)4/h7-8H2,1-6H3/t11-,12-/m1/s1
InChIKey QZHRRGKZITWNNO-VXGBXAGGSA-N
Literature Reference Author M.G.ORGAN,R.D.J.FROESE,J.D.GODDARD,N.J.TAYLOR,G.L.LANGE
Literature Reference Citation J.AM.CHEM.SOC.,116,3312(1994)
Literature Reference DOI 10.1021/ja00087a018
Molecular Weight 214.305 g/mol
Solvent CDCl3
Source File Reference UWSI3786