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1-NITROMETHYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
SpectraBase Compound ID 75KjM1uDDuS
InChI InChI=1S/C10H4F9NO8S3/c11-8(12,13)29(23,24)4-1-6(30(25,26)9(14,15)16)5(3-20(21)22)7(2-4)31(27,28)10(17,18)19/h1-2H,3H2
InChIKey BAJWBWJKOOEPBV-UHFFFAOYSA-N
Mol Weight 533.31 g/mol
Molecular Formula C10H4F9NO8S3
Exact Mass 532.895533 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRJfBT4nova
Name 1-NITROMETHYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
Comments SCALE INVERTED
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Formula C10H4F9NO8S3
InChI InChI=1S/C10H4F9NO8S3/c11-8(12,13)29(23,24)4-1-6(30(25,26)9(14,15)16)5(3-20(21)22)7(2-4)31(27,28)10(17,18)19/h1-2H,3H2
InChIKey BAJWBWJKOOEPBV-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