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6-METHYL-2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID nMcmxCiGHc
InChI InChI=1S/C10H8Cl3N5O/c1-5-4-7(19)17-9(15-5)18-8-14-3-2-6(16-8)10(11,12)13/h2-4H,1H3,(H2,14,15,16,17,18,19)
InChIKey SKOIKFXNXNUMCH-UHFFFAOYSA-N
Mol Weight 320.57 g/mol
Molecular Formula C10H8Cl3N5O
Exact Mass 318.979443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L19cm3FemxK
Name 6-METHYL-2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-PYRIMIDIN-4(3H)-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8Cl3N5O
InChI InChI=1S/C10H8Cl3N5O/c1-5-4-7(19)17-9(15-5)18-8-14-3-2-6(16-8)10(11,12)13/h2-4H,1H3,(H2,14,15,16,17,18,19)
InChIKey SKOIKFXNXNUMCH-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 320.565 g/mol
Solvent DMSO-D6
Source File Reference UWSI19164