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7-(2-methoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 3 NMR

7-(2-methoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4pr9x5RIMeL
InChI InChI=1S/C15H16N4O3/c1-17-13-12(14(20)18(2)15(17)21)19(9-16-13)8-10-6-4-5-7-11(10)22-3/h4-7,9H,8H2,1-3H3
InChIKey ZFFFOPTXZWTJMX-UHFFFAOYSA-N
Mol Weight 300.32 g/mol
Molecular Formula C15H16N4O3
Exact Mass 300.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzD8SslWMYa
Name 7-(2-Methoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 300.122240388 u
Formula C15H16N4O3
InChI InChI=1S/C15H16N4O3/c1-17-13-12(14(20)18(2)15(17)21)19(9-16-13)8-10-6-4-5-7-11(10)22-3/h4-7,9H,8H2,1-3H3
InChIKey ZFFFOPTXZWTJMX-UHFFFAOYSA-N
Molecular Weight 300.318 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CC2=C(C=CC=C2)OC)C=N1