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1,3-Dimethyl-8-(4-phenylphenyl)-7H-purine-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,3-Dimethyl-8-(4-phenylphenyl)-7H-purine-2,6-dione
SpectraBase Compound ID LG2JHpZKvWI
InChI InChI=1S/C19H16N4O2/c1-22-17-15(18(24)23(2)19(22)25)20-16(21-17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)
InChIKey SPWKKLUSQDRAFJ-UHFFFAOYSA-N
Mol Weight 332.36 g/mol
Molecular Formula C19H16N4O2
Exact Mass 332.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SXqu94b9cQ
Name 1,3-Dimethyl-8-(4-phenylphenyl)-7H-purine-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 332.127325769 u
Formula C19H16N4O2
InChI InChI=1S/C19H16N4O2/c1-22-17-15(18(24)23(2)19(22)25)20-16(21-17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)
InChIKey SPWKKLUSQDRAFJ-UHFFFAOYSA-N
Molecular Weight 332.363 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)NC(=N1)C1=CC=C(C=C1)C1=CC=CC=C1