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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-((methylthio)methyl)-5-phenyl-
SpectraBase Compound ID 4GZdR0rnq8Y
InChI InChI=1S/C14H16N2O3S/c1-3-14(10-7-5-4-6-8-10)11(17)15-13(19)16(9-20-2)12(14)18/h4-8H,3,9H2,1-2H3,(H,15,17,19)
InChIKey JOTXNUQCZJLZDO-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzULuUUbTjz
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-((methylthio)methyl)-5-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 292.088163554 u
Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-3-14(10-7-5-4-6-8-10)11(17)15-13(19)16(9-20-2)12(14)18/h4-8H,3,9H2,1-2H3,(H,15,17,19)
InChIKey JOTXNUQCZJLZDO-UHFFFAOYSA-N
Molecular Weight 292.353 g/mol
SMILES C1(C(N(C(NC1=O)=O)CSC)=O)(CC)C1=CC=CC=C1