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NEOPENTYL-3-(5-ACETYL-2-THIENYL)-DIFLUOROMETHANESULFONATE
SpectraBase Compound ID aWVEWXHBXx
InChI InChI=1S/C18H20F2O4S2/c1-12(21)15-8-9-16(25-15)13-6-5-7-14(10-13)18(19,20)26(22,23)24-11-17(2,3)4/h5-10H,11H2,1-4H3
InChIKey KGTXVNIFRYMVHA-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C18H20F2O4S2
Exact Mass 402.077108 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEcTgCFLcFk
Name NEOPENTYL-3-(5-ACETYL-2-THIENYL)-DIFLUOROMETHANESULFONATE
Compound Number 82
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20F2O4S2
InChI InChI=1S/C18H20F2O4S2/c1-12(21)15-8-9-16(25-15)13-6-5-7-14(10-13)18(19,20)26(22,23)24-11-17(2,3)4/h5-10H,11H2,1-4H3
InChIKey KGTXVNIFRYMVHA-UHFFFAOYSA-N
Literature Reference Author C.LEUNG,J.GRZYB,J.LEE,N.MEYER,G.HUM,C.JIA,S.LIU,S.D.TAYLOR
Literature Reference Citation BIOORG.MED.CHEM.,10,2309(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00062-7
Solvent CDCl3
Source File Reference UWVN28536