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8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
SpectraBase Compound ID EsArVKZAd3M
InChI InChI=1S/C21H19FN4O3/c1-13-4-6-14(7-5-13)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3
InChIKey MPKYGNKUEUONAY-UHFFFAOYSA-N
Mol Weight 394.41 g/mol
Molecular Formula C21H19FN4O3
Exact Mass 394.144119 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JVimOgD1bdl
Name 1H-purine-2,6-dione, 8-(4-fluorophenoxy)-3,7-dihydro-1,3-dimethyl-7-[(4-methylphenyl)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.144118648 u
Formula C21H19FN4O3
InChI InChI=1S/C21H19FN4O3/c1-13-4-6-14(7-5-13)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3
InChIKey MPKYGNKUEUONAY-UHFFFAOYSA-N
Molecular Weight 394.406 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12987
Solvent DMSO-d6
Source Vendor ID: NMR/10291491; Lab Info: SAD; Lab Number: SAD-0102463