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

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8-(benzylamino)-7-(4-bromobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Cv8W9TtM4fu
InChI InChI=1S/C21H20BrN5O2/c1-25-18-17(19(28)26(2)21(25)29)27(13-15-8-10-16(22)11-9-15)20(24-18)23-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKey RWUOITRBFGTBBX-UHFFFAOYSA-N
Mol Weight 454.33 g/mol
Molecular Formula C21H20BrN5O2
Exact Mass 453.080038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KeerGjemOya
Name 8-(benzylamino)-7-(4-bromobenzyl)-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/C21H20BrN5O2/c1-25-18-17(19(28)26(2)21(25)29)27(13-15-8-10-16(22)11-9-15)20(24-18)23-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKey RWUOITRBFGTBBX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2
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: 9525010; Labnumber: LRP-761; VK_ID: VK-000003
Temperature 308 °C