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8-Biphenyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

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

8-Biphenyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1kRBfdGihKH
InChI InChI=1S/C20H18N4O2/c1-22-16-18(23(2)20(26)24(3)19(16)25)21-17(22)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey LTWHRRMGLXCUQL-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C20H18N4O2
Exact Mass 346.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23vD9uxKQJq
Name 8-Biphenyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.142975834 u
Formula C20H18N4O2
InChI InChI=1S/C20H18N4O2/c1-22-16-18(23(2)20(26)24(3)19(16)25)21-17(22)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey LTWHRRMGLXCUQL-UHFFFAOYSA-N
Molecular Weight 346.390 g/mol
SMILES C12=C(N(C)C(N(C2=O)C)=O)N=C(N1C)C1=CC=C(C=C1)C=1C=CC=CC1