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1-ACETONYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
SpectraBase Compound ID KCi18uQVGpI
InChI InChI=1S/C12H7F9O7S3/c1-5(22)2-7-8(30(25,26)11(16,17)18)3-6(29(23,24)10(13,14)15)4-9(7)31(27,28)12(19,20)21/h3-4H,2H2,1H3
InChIKey HQBFXEYULMDPSR-UHFFFAOYSA-N
Mol Weight 530.35 g/mol
Molecular Formula C12H7F9O7S3
Exact Mass 529.92102 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1P4FOVSa0Y2
Name 1-ACETONYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
Comments SCALE INVERTED
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Formula C12H7F9O7S3
InChI InChI=1S/C12H7F9O7S3/c1-5(22)2-7-8(30(25,26)11(16,17)18)3-6(29(23,24)10(13,14)15)4-9(7)31(27,28)12(19,20)21/h3-4H,2H2,1H3
InChIKey HQBFXEYULMDPSR-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference N.V.IGNAT'EV, V.N.BOIKO, L.M.YAGUPOL'SKY (1980) Zhurn.Org.Khim.(Russ. Lang.):v.16, N7, 1501-1508.
NMR Standard C6H5CF3
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone