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5-[1-(4-fluoroanilino)propylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID IiOTLhgnD0Y
InChI InChI=1S/C15H16FN3O3/c1-4-11(17-10-7-5-9(16)6-8-10)12-13(20)18(2)15(22)19(3)14(12)21/h5-8,17H,4H2,1-3H3
InChIKey UKQCYOWYTJMFGZ-UHFFFAOYSA-N
Mol Weight 305.31 g/mol
Molecular Formula C15H16FN3O3
Exact Mass 305.11757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuK5HjGkPhD
Name 5-[1-(4-Fluoroanilino)propylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 305.117569547 u
Formula C15H16FN3O3
InChI InChI=1S/C15H16FN3O3/c1-4-11(17-10-7-5-9(16)6-8-10)12-13(20)18(2)15(22)19(3)14(12)21/h5-8,17H,4H2,1-3H3
InChIKey UKQCYOWYTJMFGZ-UHFFFAOYSA-N
Molecular Weight 305.309 g/mol
SMILES N(C(=C1C(N(C)C(N(C1=O)C)=O)=O)CC)C=1C=CC(=CC1)F