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(1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-ETHYLPENTYL)-6-METHYL-1,3-DIOXAN-4-ONE
SpectraBase Compound ID 5JxI18cikdY
InChI InChI=1S/C16H30O3/c1-7-9-10-12(8-2)13-11(3)18-15(16(4,5)6)19-14(13)17/h11-13,15H,7-10H2,1-6H3/t11-,12-,13?,15-/m1/s1
InChIKey KFULJRDCYODMFU-CZPDGURSSA-N
Mol Weight 270.41 g/mol
Molecular Formula C16H30O3
Exact Mass 270.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RqCVGVUIPt
Name (1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-ETHYLPENTYL)-6-METHYL-1,3-DIOXAN-4-ONE
CAS Registry Number 129287-71-4
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H30O3
InChI InChI=1S/C16H30O3/c1-7-9-10-12(8-2)13-11(3)18-15(16(4,5)6)19-14(13)17/h11-13,15H,7-10H2,1-6H3/t11-,12-,13?,15-/m1/s1
InChIKey KFULJRDCYODMFU-CZPDGURSSA-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 270.412 g/mol
Solvent CDCl3
Source File Reference UWED12705