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7-(2-chlorobenzyl)-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3F42K0GCj0r
InChI InChI=1S/C21H27ClN6O3/c1-25-18-17(19(29)26(2)21(25)30)28(14-15-6-3-4-7-16(15)22)20(24-18)23-8-5-9-27-10-12-31-13-11-27/h3-4,6-7H,5,8-14H2,1-2H3,(H,23,24)
InChIKey XNPMREHCTCLFMU-UHFFFAOYSA-N
Mol Weight 446.94 g/mol
Molecular Formula C21H27ClN6O3
Exact Mass 446.183316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 15LTPDF6Cvj
Name 7-(2-chlorobenzyl)-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/C21H27ClN6O3/c1-25-18-17(19(29)26(2)21(25)30)28(14-15-6-3-4-7-16(15)22)20(24-18)23-8-5-9-27-10-12-31-13-11-27/h3-4,6-7H,5,8-14H2,1-2H3,(H,23,24)
InChIKey XNPMREHCTCLFMU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25738
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: D60631; Labnumber: LRP02-0997; SBI_ID: SBI-025742
Temperature 318 °C