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4-(Trifluoromethyl)pyrimidine-2-thiol
SpectraBase Compound ID Esm6pr3LVOi
InChI InChI=1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChIKey HDGJASCXBNRLGA-UHFFFAOYSA-N
Mol Weight 180.15 g/mol
Molecular Formula C5H3F3N2S
Exact Mass 179.996904 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AQwLKI7zR5
Name 4-TRIFLUOROMETHYL-2-MERCAPTOPYRIMIDINE
Comments MIXTURE WITH THION TAUTOMER. SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H3F3N2S
InChI InChI=1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChIKey HDGJASCXBNRLGA-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 CD2Cl2 methylene chl