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

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1-(4-bromobenzyl)-8-(cyclopentylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID fOXUemLgnc
InChI InChI=1S/C19H22BrN5O2/c1-23-15-16(22-18(23)21-14-5-3-4-6-14)24(2)19(27)25(17(15)26)11-12-7-9-13(20)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H,21,22)
InChIKey BJHKUXNFUMUEPY-UHFFFAOYSA-N
Mol Weight 432.32 g/mol
Molecular Formula C19H22BrN5O2
Exact Mass 431.095688 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BOaJxGOOujU
Name 1-(4-bromobenzyl)-8-(cyclopentylamino)-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/C19H22BrN5O2/c1-23-15-16(22-18(23)21-14-5-3-4-6-14)24(2)19(27)25(17(15)26)11-12-7-9-13(20)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H,21,22)
InChIKey BJHKUXNFUMUEPY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25734
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: D60626; Labnumber: LRP02-0954; SBI_ID: SBI-025738
Temperature 318 °C