John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CqyYeYGMkTd SpectraBase Spectrum ID=2a8LuSRQc7E

(accessed ).
(1'S,2R,5R,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-PHENYLBUTYL)-1,3-DIOXAN-4-ONE
SpectraBase Compound ID CqyYeYGMkTd
InChI InChI=1S/C19H28O3/c1-6-10-15(14-11-8-7-9-12-14)16-13(2)21-18(19(3,4)5)22-17(16)20/h7-9,11-13,15-16,18H,6,10H2,1-5H3/t13-,15?,16+,18-/m1/s1
InChIKey LWYGSMALWPJAME-QCXFBXDMSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2a8LuSRQc7E
Name (1'S,2R,5R,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-PHENYLBUTYL)-1,3-DIOXAN-4-ONE
CAS Registry Number 129287-62-3
Compound Number 26
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-6-10-15(14-11-8-7-9-12-14)16-13(2)21-18(19(3,4)5)22-17(16)20/h7-9,11-13,15-16,18H,6,10H2,1-5H3/t13-,15?,16+,18-/m1/s1
InChIKey LWYGSMALWPJAME-QCXFBXDMSA-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 304.430 g/mol
Solvent CDCl3
Source File Reference UWED12698
SpectraBase Batch ID EuPlWNeBJd4