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(5E)-1-butyl-5-{1-[(2-hydroxyethyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID F3vAOryTuEv
InChI InChI=1S/C12H19N3O4/c1-3-4-6-15-11(18)9(8(2)13-5-7-16)10(17)14-12(15)19/h13,16H,3-7H2,1-2H3,(H,14,17,19)/b9-8+
InChIKey LFVBVABMSUGTSY-CMDGGOBGSA-N
Mol Weight 269.3 g/mol
Molecular Formula C12H19N3O4
Exact Mass 269.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98m72CNJhsj
Name (5E)-1-Butyl-5-{1-[(2-hydroxyethyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 269.137556100 u
Formula C12H19N3O4
InChI InChI=1S/C12H19N3O4/c1-3-4-6-15-11(18)9(8(2)13-5-7-16)10(17)14-12(15)19/h13,16H,3-7H2,1-2H3,(H,14,17,19)/b9-8+
InChIKey LFVBVABMSUGTSY-CMDGGOBGSA-N
Molecular Weight 269.301 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)CCCC)=O)C)CCO