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7-(4-bromobenzyl)-8-[(4-methoxybenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9x8chpf04WW
InChI InChI=1S/C22H22BrN5O3/c1-26-19-18(20(29)27(2)22(26)30)28(13-15-4-8-16(23)9-5-15)21(25-19)24-12-14-6-10-17(31-3)11-7-14/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey ULBZFFRDDCKZHA-UHFFFAOYSA-N
Mol Weight 484.35 g/mol
Molecular Formula C22H22BrN5O3
Exact Mass 483.090603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BD9kdJ9RtjD
Name 7-(4-bromobenzyl)-8-[(4-methoxybenzyl)amino]-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/C22H22BrN5O3/c1-26-19-18(20(29)27(2)22(26)30)28(13-15-4-8-16(23)9-5-15)21(25-19)24-12-14-6-10-17(31-3)11-7-14/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey ULBZFFRDDCKZHA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25692
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: D60573; Labnumber: LRP02-0413; SBI_ID: SBI-025696
Temperature 308 °C