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(1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-HYDROXY-PROPYL)-6-METHYL-1,3-DIOXAN-4-ONE
SpectraBase Compound ID CrNd5pBsaCT
InChI InChI=1S/C12H22O4/c1-6-8(13)9-7(2)15-11(12(3,4)5)16-10(9)14/h7-9,11,13H,6H2,1-5H3/t7-,8+,9?,11-/m1/s1
InChIKey UKTBYMMQHISTJJ-GQEBFOJWSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QX9lHfa4yK
Name (1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-HYDROXY-PROPYL)-6-METHYL-1,3-DIOXAN-4-ONE
CAS Registry Number 129287-33-8
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-6-8(13)9-7(2)15-11(12(3,4)5)16-10(9)14/h7-9,11,13H,6H2,1-5H3/t7-,8+,9?,11-/m1/s1
InChIKey UKTBYMMQHISTJJ-GQEBFOJWSA-N
Literature Reference Author W.AMBERG,D.SEEBACH
Literature Reference Citation CHEM.BER.,123,2413(1990)
Literature Reference DOI 10.1002/cber.19901231225
Molecular Weight 230.304 g/mol
Solvent CDCl3
Source File Reference UWED12690