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(2R,5S)-2-TERT.-BUTYL-6,6-DIMETHYL-5-(PARA-TRIFLUOROMETHYLBENZYL)-1,3-DIOXAN-4-ONE
SpectraBase Compound ID 85vf3cLaEmH
InChI InChI=1S/C18H23F3O3/c1-16(2,3)15-23-14(22)13(17(4,5)24-15)10-11-6-8-12(9-7-11)18(19,20)21/h6-9,13,15H,10H2,1-5H3/t13-,15+/m1/s1
InChIKey WZJNLERMZVRTGI-HIFRSBDPSA-N
Mol Weight 344.37 g/mol
Molecular Formula C18H23F3O3
Exact Mass 344.159929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fuYsRRvxIK
Name (2R,5S)-2-TERT.-BUTYL-6,6-DIMETHYL-5-(PARA-TRIFLUOROMETHYLBENZYL)-1,3-DIOXAN-4-ONE
CAS Registry Number 128973-63-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23F3O3
InChI InChI=1S/C18H23F3O3/c1-16(2,3)15-23-14(22)13(17(4,5)24-15)10-11-6-8-12(9-7-11)18(19,20)21/h6-9,13,15H,10H2,1-5H3/t13-,15+/m1/s1
InChIKey WZJNLERMZVRTGI-HIFRSBDPSA-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 344.374 g/mol
Solvent Unknown
Source File Reference UWED12110