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4H-pyrazolo[3,4-d]pyrimidin-4-one, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-1,5-dihydro-1-(4-methylphenyl)-

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4H-pyrazolo[3,4-d]pyrimidin-4-one, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-1,5-dihydro-1-(4-methylphenyl)-
SpectraBase Compound ID A7i7ek7TyGS
InChI InChI=1S/C26H19FN4O3/c1-16-5-7-19(8-6-16)31-25-21(15-28-31)26(32)30(24(29-25)17-3-2-4-18(27)13-17)20-9-10-22-23(14-20)34-12-11-33-22/h2-10,13-15H,11-12H2,1H3
InChIKey YNWRQKLWUIKHQK-UHFFFAOYSA-N
Mol Weight 454.46 g/mol
Molecular Formula C26H19FN4O3
Exact Mass 454.144119 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHubxmTDIEx
Name 4H-pyrazolo[3,4-d]pyrimidin-4-one, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluorophenyl)-1,5-dihydro-1-(4-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.144118648 u
Formula C26H19FN4O3
InChI InChI=1S/C26H19FN4O3/c1-16-5-7-19(8-6-16)31-25-21(15-28-31)26(32)30(24(29-25)17-3-2-4-18(27)13-17)20-9-10-22-23(14-20)34-12-11-33-22/h2-10,13-15H,11-12H2,1H3
InChIKey YNWRQKLWUIKHQK-UHFFFAOYSA-N
Molecular Weight 454.461 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5508
Solvent DMSO-d6
Source Vendor ID: NMR/13288852