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6.beta.-n-Butyl-2.alpha.-tert-butyl-2.beta.,6.alpha.-dimethyl-1,3-dioxan-4-one
SpectraBase Compound ID FthJtCL2QLW
InChI InChI=1S/C14H26O3/c1-7-8-9-13(5)10-11(15)16-14(6,17-13)12(2,3)4/h7-10H2,1-6H3/t13-,14-/m1/s1
InChIKey HGCKGRSYYFXGRT-ZIAGYGMSSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTKFRsbXe4t
Name 6-BETA-N-BUTYL-2-ALPHA-TERT.-BUTYL-2-BETA,6-ALPHA-DIMETHYL-1,3-DIOXAN-4-ONE
Compound Number 6A
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Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-7-8-9-13(5)10-11(15)16-14(6,17-13)12(2,3)4/h7-10H2,1-6H3/t13-,14-/m1/s1
InChIKey HGCKGRSYYFXGRT-ZIAGYGMSSA-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 242.359 g/mol
Solvent CDCl3
Source File Reference UWSI3785