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2-METHYL-5-(2-PROPEN-1-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE

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2-METHYL-5-(2-PROPEN-1-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID LcVWRuI5GU1
InChI InChI=1S/C9H9F3N2O/c1-3-4-6-7(9(10,11)12)13-5(2)14-8(6)15/h3H,1,4H2,2H3,(H,13,14,15)
InChIKey XSHJYKPPLVFIJJ-UHFFFAOYSA-N
Mol Weight 218.18 g/mol
Molecular Formula C9H9F3N2O
Exact Mass 218.066697 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mYytUM9Fr1
Name 2-METHYL-5-(2-PROPEN-1-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9F3N2O
InChI InChI=1S/C9H9F3N2O/c1-3-4-6-7(9(10,11)12)13-5(2)14-8(6)15/h3H,1,4H2,2H3,(H,13,14,15)
InChIKey XSHJYKPPLVFIJJ-UHFFFAOYSA-N
Literature Reference Author J.DREXLER,U.GROTH
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6314(2014)
Literature Reference DOI 10.1002/ejoc.201402755
Solvent CDCl3
Source File Reference UWIR19240