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8-(2-bromophenoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-(2-bromophenoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1URZeDJea0R
InChI InChI=1S/C20H16BrClN4O3/c1-24-16-17(23-19(24)29-15-6-4-3-5-14(15)21)25(2)20(28)26(18(16)27)11-12-7-9-13(22)10-8-12/h3-10H,11H2,1-2H3
InChIKey FXJGYNHFHPMZBK-UHFFFAOYSA-N
Mol Weight 475.73 g/mol
Molecular Formula C20H16BrClN4O3
Exact Mass 474.009431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZYc1XATmwh
Name 8-(2-Bromophenoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-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 474.009431088 u
Formula C20H16BrClN4O3
InChI InChI=1S/C20H16BrClN4O3/c1-24-16-17(23-19(24)29-15-6-4-3-5-14(15)21)25(2)20(28)26(18(16)27)11-12-7-9-13(22)10-8-12/h3-10H,11H2,1-2H3
InChIKey FXJGYNHFHPMZBK-UHFFFAOYSA-N
Molecular Weight 475.730 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)CC2=CC=C(C=C2)Cl)N(C)C(=N1)OC=1C(Br)=CC=CC1