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8-[benzyl(methyl)amino]-1-(3-bromobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID JOWPsAhFJlp
InChI InChI=1S/C22H22BrN5O2/c1-25(13-15-8-5-4-6-9-15)21-24-19-18(26(21)2)20(29)28(22(30)27(19)3)14-16-10-7-11-17(23)12-16/h4-12H,13-14H2,1-3H3
InChIKey KVOITSPAGLRALW-UHFFFAOYSA-N
Mol Weight 468.36 g/mol
Molecular Formula C22H22BrN5O2
Exact Mass 467.095688 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ajiS65v2uV
Name 8-[benzyl(methyl)amino]-1-(3-bromobenzyl)-3,7-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/C22H22BrN5O2/c1-25(13-15-8-5-4-6-9-15)21-24-19-18(26(21)2)20(29)28(22(30)27(19)3)14-16-10-7-11-17(23)12-16/h4-12H,13-14H2,1-3H3
InChIKey KVOITSPAGLRALW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25716
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: D60607; Labnumber: LRP02-0799; SBI_ID: SBI-025720
Temperature 318 °C