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

View entire compound with spectra: 2 NMR

7-(2-fluorobenzyl)-8-(4-fluorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6FVEHJHEtwC
InChI InChI=1S/C20H16F2N4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-5-3-4-6-15(12)22)19(23-17)29-14-9-7-13(21)8-10-14/h3-10H,11H2,1-2H3
InChIKey QSCBKVHQJANHPL-UHFFFAOYSA-N
Mol Weight 398.37 g/mol
Molecular Formula C20H16F2N4O3
Exact Mass 398.119047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hm6r31kVZCU
Name 7-(2-Fluorobenzyl)-8-(4-fluorophenoxy)-1,3-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 398.119046714 u
Formula C20H16F2N4O3
InChI InChI=1S/C20H16F2N4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-5-3-4-6-15(12)22)19(23-17)29-14-9-7-13(21)8-10-14/h3-10H,11H2,1-2H3
InChIKey QSCBKVHQJANHPL-UHFFFAOYSA-N
Molecular Weight 398.370 g/mol
SMILES C12=C(N(CC=3C(F)=CC=CC3)C(=N1)OC=1C=CC(=CC1)F)C(=O)N(C(N2C)=O)C