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ETHYL-3-(1,1,1-TRIFLUOROPROP-2-YL)-6,6-DIMETHYL-2-(METHYLTHIO)-5-OXOHEPTANOATE;MAJOR-ISOMER
SpectraBase Compound ID 2Phr8YtLIES
InChI InChI=1S/C15H25F3O3S/c1-7-21-13(20)12(22-6)10(9(2)15(16,17)18)8-11(19)14(3,4)5/h9-10,12H,7-8H2,1-6H3/t9-,10?,12?/m0/s1
InChIKey SZLAWYADIMVWGE-BMQDGWLCSA-N
Mol Weight 342.42 g/mol
Molecular Formula C15H25F3O3S
Exact Mass 342.14765 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9Pd9lxEVjR
Name ETHYL-3-(1,1,1-TRIFLUOROPROP-2-YL)-6,6-DIMETHYL-2-(METHYLTHIO)-5-OXOHEPTANOATE;MINOR-ISOMER
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H25F3O3S
InChI InChI=1S/C15H25F3O3S/c1-7-21-13(20)12(22-6)10(9(2)15(16,17)18)8-11(19)14(3,4)5/h9-10,12H,7-8H2,1-6H3/t9-,10?,12?/m0/s1
InChIKey SZLAWYADIMVWGE-BMQDGWLCSA-N
Literature Reference Author T.YAMAZAKI,T.ICHIGE,S.TAKEI,S.KAWASHITA,T.KITAZUME,T.KUBOTA
Literature Reference Citation ORG.LETTERS,3,2915(2001)
Literature Reference DOI 10.1021/ol016401g
Solvent CDCl3
Source File Reference UWVN30786