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ETHYL-3-(1-FLUOROPROP-2-YL)-6,6-DIMETHYL-2-(METHYLTHIO)-5-OXOHEPTANOATE;MAJOR-ISOMER
SpectraBase Compound ID L9lJZvvfu4w
InChI InChI=1S/C15H27FO3S/c1-7-19-14(18)13(20-6)11(10(2)9-16)8-12(17)15(3,4)5/h10-11,13H,7-9H2,1-6H3/t10-,11?,13?/m1/s1
InChIKey CRFMRMSVGFOIHA-XSRFYTQQSA-N
Mol Weight 306.44 g/mol
Molecular Formula C15H27FO3S
Exact Mass 306.166494 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80OUxLIMBLR
Name ETHYL-3-(1-FLUOROPROP-2-YL)-6,6-DIMETHYL-2-(METHYLTHIO)-5-OXOHEPTANOATE;MAJOR-ISOMER
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H27FO3S
InChI InChI=1S/C15H27FO3S/c1-7-19-14(18)13(20-6)11(10(2)9-16)8-12(17)15(3,4)5/h10-11,13H,7-9H2,1-6H3/t10-,11?,13?/m1/s1
InChIKey CRFMRMSVGFOIHA-XSRFYTQQSA-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 UWVN30791