John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FfKBoxzDdLe SpectraBase Spectrum ID=1K7f8vXTMCz

(accessed ).
(2R,5S)-2-tert-Butyl-5-ethyl-6,6-dimethyl-1,3-dioxan-4-one
SpectraBase Compound ID FfKBoxzDdLe
InChI InChI=1S/C12H22O3/c1-7-8-9(13)14-10(11(2,3)4)15-12(8,5)6/h8,10H,7H2,1-6H3/t8-,10+/m1/s1
InChIKey KSGULJWXKCAOMR-SCZZXKLOSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K7f8vXTMCz
Name (2R,5S)-2-TERT.-BUTYL-5-ETHYL-6,6-DIMETHYL-1,3-DIOXAN-4-ONE
CAS Registry Number 128973-59-1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7-8-9(13)14-10(11(2,3)4)15-12(8,5)6/h8,10H,7H2,1-6H3/t8-,10+/m1/s1
InChIKey KSGULJWXKCAOMR-SCZZXKLOSA-N
Literature Reference Author W.AMBERG,D.SEEBACH
Literature Reference Citation CHEM.BER.,123,2429(1990)
Literature Reference DOI 10.1002/cber.19901231226
Molecular Weight 214.305 g/mol
Solvent Unknown
Source File Reference UWED12105
SpectraBase Batch ID FUZc01j58zS