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

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8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID ImsTCMzhQWo
InChI InChI=1S/C21H18N4O5/c1-23-18-17(19(26)24(2)21(23)27)25(11-13-6-4-3-5-7-13)20(22-18)30-14-8-9-15-16(10-14)29-12-28-15/h3-10H,11-12H2,1-2H3
InChIKey JKXQIJSPZUWKGO-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C21H18N4O5
Exact Mass 406.12772 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8pv9yuTamEO
Name 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-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/C21H18N4O5/c1-23-18-17(19(26)24(2)21(23)27)25(11-13-6-4-3-5-7-13)20(22-18)30-14-8-9-15-16(10-14)29-12-28-15/h3-10H,11-12H2,1-2H3
InChIKey JKXQIJSPZUWKGO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13345
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: 102119; Labnumber: LRP-1077; VK_ID: VK-013350
Temperature 315 °C