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2,6-DIAMINO-5-(2-HYDROXYIMINO-3,3,3-TRIFLUOROPROPYL)-PYRIMIDIN-4-(3-H)-ONE
SpectraBase Compound ID CgldhyOcBCQ
InChI InChI=1S/C7H8F3N5O2/c8-7(9,10)3(15-17)1-2-4(11)13-6(12)14-5(2)16/h17H,1H2,(H5,11,12,13,14,16)/b15-3-
InChIKey WIURSBDGPUKJEI-CQPUUCJISA-N
Mol Weight 251.17 g/mol
Molecular Formula C7H8F3N5O2
Exact Mass 251.063009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xxceEDRvRC
Name 2,6-DIAMINO-5-(2-HYDROXYIMINO-3,3,3-TRIFLUOROPROPYL)-PYRIMIDIN-4-(3-H)-ONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7F3N5O2
InChI InChI=1S/C7H8F3N5O2/c8-7(9,10)3(15-17)1-2-4(11)13-6(12)14-5(2)16/h17H,1H2,(H5,11,12,13,14,16)/b15-3-
InChIKey WIURSBDGPUKJEI-CQPUUCJISA-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 250.160 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6338