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1-CYANO-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
SpectraBase Compound ID LxgVFkukH7w
InChI InChI=1S/C10H2F9NO6S3/c11-8(12,13)27(21,22)4-1-6(28(23,24)9(14,15)16)5(3-20)7(2-4)29(25,26)10(17,18)19/h1-2H
InChIKey DDXFEPKNXFZAEA-UHFFFAOYSA-N
Mol Weight 499.29 g/mol
Molecular Formula C10H2F9NO6S3
Exact Mass 498.890054 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cvasz72Uyel
Name 1-CYANO-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H2F9NO6S3
InChI InChI=1S/C10H2F9NO6S3/c11-8(12,13)27(21,22)4-1-6(28(23,24)9(14,15)16)5(3-20)7(2-4)29(25,26)10(17,18)19/h1-2H
InChIKey DDXFEPKNXFZAEA-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