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4-TRIFLUOROMETHYL-2-N-(4-AMINOPHENYLSULPHONYL)AMINOPYRIMIDINE
SpectraBase Compound ID FerOa8VkmsA
InChI InChI=1S/C11H9F3N4O2S/c12-11(13,14)9-5-6-16-10(17-9)18-21(19,20)8-3-1-7(15)2-4-8/h1-6H,15H2,(H,16,17,18)
InChIKey JLBITKQKSSHPPT-UHFFFAOYSA-N
Mol Weight 318.27 g/mol
Molecular Formula C11H9F3N4O2S
Exact Mass 318.039831 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YJdtMCxVTk
Name 4-TRIFLUOROMETHYL-2-N-(4-AMINOPHENYLSULPHONYL)AMINOPYRIMIDINE
Comments SCALE INVERTED;WP-200 (BRUKER)
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Formula C11H9F3N4O2S
InChI InChI=1S/C11H9F3N4O2S/c12-11(13,14)9-5-6-16-10(17-9)18-21(19,20)8-3-1-7(15)2-4-8/h1-6H,15H2,(H,16,17,18)
InChIKey JLBITKQKSSHPPT-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference I.I.GERUS, S.I.VDOVENKO, M.G.GORBUNOVA, V.P.KUKHAR (1991)Khim.Heteroc.Soed.(Russ. Lang.): N4, 502-511.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD4O methanol-d4