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(1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-HYDROXY-ISOBUTYL)-6-METHYL-1,3-DIOXAN-4-ONE
SpectraBase Compound ID EmRWhRenY1F
InChI InChI=1S/C13H24O4/c1-7(2)10(14)9-8(3)16-12(13(4,5)6)17-11(9)15/h7-10,12,14H,1-6H3/t8-,9?,10+,12-/m1/s1
InChIKey AMXCXHJFKUPUDH-WSVRWTTQSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WTA65cvvTp
Name (1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-HYDROXY-ISOBUTYL)-6-METHYL-1,3-DIOXAN-4-ONE
CAS Registry Number 129287-35-0
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-7(2)10(14)9-8(3)16-12(13(4,5)6)17-11(9)15/h7-10,12,14H,1-6H3/t8-,9?,10+,12-/m1/s1
InChIKey AMXCXHJFKUPUDH-WSVRWTTQSA-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 244.331 g/mol
Solvent CDCl3
Source File Reference UWED12691