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2-TRIFLUOROMETHYL-4,6-DIHYDROXYPYRIMIDINE
SpectraBase Compound ID BEWPthIRr3h
InChI InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)
InChIKey AMGBKPNVGVAFEN-UHFFFAOYSA-N
Mol Weight 180.09 g/mol
Molecular Formula C5H3F3N2O2
Exact Mass 180.014662 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bwtp3VSZrWu
Name 2-TRIFLUOROMETHYL-4,6-DIHYDROXYPYRIMIDINE
Comments CALCULATED FROM C6F6 STANDARD (162.9 FROM CCL3F). SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H3F3N2O2
InChI InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)
InChIKey AMGBKPNVGVAFEN-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference G.M.KHEIFETS (1979) Zhurn.Org.Khim.(Russ. Lang.): v.15, N8, 1744-1751.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H6O ethanol