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5-METHYL-2-TRIFLUOROMETHYL-4,6-DIHYDROXYPYRIMIDINE
SpectraBase Compound ID IrTuOBKLzJG
InChI InChI=1S/C6H5F3N2O2/c1-2-3(12)10-5(6(7,8)9)11-4(2)13/h1H3,(H2,10,11,12,13)
InChIKey DVFWQZHUOGTZTG-UHFFFAOYSA-N
Mol Weight 194.11 g/mol
Molecular Formula C6H5F3N2O2
Exact Mass 194.030312 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AphVGw2poDU
Name 5-METHYL-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 C6H5F3N2O2
InChI InChI=1S/C6H5F3N2O2/c1-2-3(12)10-5(6(7,8)9)11-4(2)13/h1H3,(H2,10,11,12,13)
InChIKey DVFWQZHUOGTZTG-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