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1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AwtP1d0nJfk
InChI InChI=1S/C21H26Cl2N6O3/c1-26-17-18(25-20(26)24-6-3-7-28-8-10-32-11-9-28)27(2)21(31)29(19(17)30)13-14-4-5-15(22)16(23)12-14/h4-5,12H,3,6-11,13H2,1-2H3,(H,24,25)
InChIKey PHUGGZNWYMIDTI-UHFFFAOYSA-N
Mol Weight 481.38 g/mol
Molecular Formula C21H26Cl2N6O3
Exact Mass 480.144344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4tWrQTgCrJr
Name 1-(3,4-dichlorobenzyl)-3,7-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/C21H26Cl2N6O3/c1-26-17-18(25-20(26)24-6-3-7-28-8-10-32-11-9-28)27(2)21(31)29(19(17)30)13-14-4-5-15(22)16(23)12-14/h4-5,12H,3,6-11,13H2,1-2H3,(H,24,25)
InChIKey PHUGGZNWYMIDTI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22572
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: D59994; Labnumber: LRP02-1013; SBI_ID: SBI-022576
Temperature 308 °C