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5-(2-HYDROXYETHYL)-2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID Bb7KrEvVF5r
InChI InChI=1S/C11H10Cl3N5O2/c12-11(13,14)7-1-3-15-9(17-7)19-10-16-5-6(2-4-20)8(21)18-10/h1,3,5,20H,2,4H2,(H2,15,16,17,18,19,21)
InChIKey GWAUPHLMYDPIQR-UHFFFAOYSA-N
Mol Weight 350.59 g/mol
Molecular Formula C11H10Cl3N5O2
Exact Mass 348.990008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F78RFY6P7R3
Name 5-(2-HYDROXYETHYL)-2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-PYRIMIDIN-4(3H)-ONE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10Cl3N5O2
InChI InChI=1S/C11H10Cl3N5O2/c12-11(13,14)7-1-3-15-9(17-7)19-10-16-5-6(2-4-20)8(21)18-10/h1,3,5,20H,2,4H2,(H2,15,16,17,18,19,21)
InChIKey GWAUPHLMYDPIQR-UHFFFAOYSA-N
Literature Reference Author N.ZANNATTA,E.C.S.LOPES,L.FANTINEL,H.G.BONACORSO,M.A.P.MARTIN S
Literature Reference Citation J.HETCYCL.CHEM.,39,943(2002)
Literature Reference DOI 10.1002/jhet.5570390514
Molecular Weight 350.592 g/mol
Solvent DMSO-D6
Source File Reference UWSI19166