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7-(4-bromobenzyl)-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID F0YsfZwPHWj
InChI InChI=1S/C21H27BrN6O3/c1-25-18-17(19(29)26(2)21(25)30)28(14-15-4-6-16(22)7-5-15)20(24-18)23-8-3-9-27-10-12-31-13-11-27/h4-7H,3,8-14H2,1-2H3,(H,23,24)
InChIKey JCNPPYPLAIDCAI-UHFFFAOYSA-N
Mol Weight 491.39 g/mol
Molecular Formula C21H27BrN6O3
Exact Mass 490.132802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6MgthEsjatm
Name 7-(4-bromobenzyl)-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-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/C21H27BrN6O3/c1-25-18-17(19(29)26(2)21(25)30)28(14-15-4-6-16(22)7-5-15)20(24-18)23-8-3-9-27-10-12-31-13-11-27/h4-7H,3,8-14H2,1-2H3,(H,23,24)
InChIKey JCNPPYPLAIDCAI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9628
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: D55564; Labnumber: LRP02-1008; SBI_ID: SBI-009631
Temperature 318 °C