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8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EVAQaDA4OdU
InChI InChI=1S/C21H17FN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-4-3-5-13(22)8-12)20(23-18)31-14-6-7-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3
InChIKey GCGJPJWHESQKOF-UHFFFAOYSA-N
Mol Weight 424.39 g/mol
Molecular Formula C21H17FN4O5
Exact Mass 424.118298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3o10GkQMmCQ
Name 8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H17FN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-4-3-5-13(22)8-12)20(23-18)31-14-6-7-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3
InChIKey GCGJPJWHESQKOF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2024
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 800021LRP-1085; Labnumber: 800021LRP-1085; VK_ID: VK-002025
Temperature 318 °C