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(1'R,2R,5R,6R)-2-tert-Butyl-6-methyl-5-(1'-methylpropyl)-1,3-dioxan-4-one
SpectraBase Compound ID 6gxCh53Bqw
InChI InChI=1S/C13H24O3/c1-7-8(2)10-9(3)15-12(13(4,5)6)16-11(10)14/h8-10,12H,7H2,1-6H3/t8-,9-,10?,12-/m1/s1
InChIKey YJBKHBFHEMUDIV-NAFKDRLFSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XVOkccRAuH
Name (1'R,2R,5R,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-METHYLPROPYL)-1,3-DIOXAN-4-ONE
CAS Registry Number 129287-69-0
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-7-8(2)10-9(3)15-12(13(4,5)6)16-11(10)14/h8-10,12H,7H2,1-6H3/t8-,9-,10?,12-/m1/s1
InChIKey YJBKHBFHEMUDIV-NAFKDRLFSA-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 228.332 g/mol
Solvent CDCl3
Source File Reference UWED12704