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2,6-DIAMINO-5-(2-ETHOXYCARBONYL-2-HYDROXYIMINOETHYL)-PYRIMIDIN-4-(3-H)-ONE
SpectraBase Compound ID LEsSLoIa3zi
InChI InChI=1S/C9H13N5O4/c1-2-18-8(16)5(14-17)3-4-6(10)12-9(11)13-7(4)15/h17H,2-3H2,1H3,(H5,10,11,12,13,15)/b14-5-
InChIKey VFWCKMPNBYWSQM-RZNTYIFUSA-N
Mol Weight 255.23 g/mol
Molecular Formula C9H13N5O4
Exact Mass 255.096754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAv7Kv2dMn0
Name 2,6-DIAMINO-5-(2-ETHOXYCARBONYL-2-HYDROXYIMINOETHYL)-PYRIMIDIN-4-(3-H)-ONE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N5O4
InChI InChI=1S/C9H13N5O4/c1-2-18-8(16)5(14-17)3-4-6(10)12-9(11)13-7(4)15/h17H,2-3H2,1H3,(H5,10,11,12,13,15)/b14-5-
InChIKey VFWCKMPNBYWSQM-RZNTYIFUSA-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 254.225 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6339