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(2R,5S,6R)-5-Benzyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID GcEIEnF4jqJ
InChI InChI=1S/C16H22O3/c1-11-13(10-12-8-6-5-7-9-12)14(17)19-15(18-11)16(2,3)4/h5-9,11,13,15H,10H2,1-4H3/t11-,13+,15-/m1/s1
InChIKey KDBBQEHRROHBOQ-OSAQELSMSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6F20BJFoA9P
Name (2R,5S,6R)-5-BENZYL-2-TERT.-BUTYL-6-METHYL-1,3-DIOXAN-4-ONE
CAS Registry Number 129287-76-9
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-11-13(10-12-8-6-5-7-9-12)14(17)19-15(18-11)16(2,3)4/h5-9,11,13,15H,10H2,1-4H3/t11-,13+,15-/m1/s1
InChIKey KDBBQEHRROHBOQ-OSAQELSMSA-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 262.349 g/mol
Solvent CDCl3
Source File Reference UWED12710