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2,6-DIAMINO-5-(1-BROMO-2-HYDROXY-1,1,3,3,3-PENTAFLUOROPROPAN-2-YL)-PYRIMIDIN-4-(3-H)-ONE_DIMETHYLFORMAMIDE_SOLVATE
SpectraBase Compound ID 6oOdbQ731q1
InChI InChI=1S/C10H11BrF5N5O3/c1-21(2)7(23)24-8(9(11,12)13,10(14,15)16)3-4(17)19-6(18)20-5(3)22/h1-2H3,(H5,17,18,19,20,22)
InChIKey ZKKRYQDLNNDKKZ-UHFFFAOYSA-N
Mol Weight 424.13 g/mol
Molecular Formula C10H11BrF5N5O3
Exact Mass 422.996543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sK5WPAK6ku
Name 2,6-DIAMINO-5-(1-BROMO-2-HYDROXY-1,1,3,3,3-PENTAFLUOROPROPAN-2-YL)-PYRIMIDIN-4-(3-H)-ONE_DIMETHYLFORMAMIDE_SOLVATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11BrF5N5O3
InChI InChI=1S/C10H11BrF5N5O3/c1-21(2)7(23)24-8(9(11,12)13,10(14,15)16)3-4(17)19-6(18)20-5(3)22/h1-2H3,(H5,17,18,19,20,22)
InChIKey ZKKRYQDLNNDKKZ-UHFFFAOYSA-N
Literature Reference Author C.L.GIBSON,K.OHTA,K.PAULINI,C.J.SUCKLING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3025(1998)
Literature Reference DOI 10.1039/a804037k
Molecular Weight 424.125 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6334