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

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1-(4-chlorobenzyl)-8-(2,6-dimethyl-4-morpholinyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2RWRTmcQlr7
InChI InChI=1S/C20H24ClN5O3/c1-12-9-25(10-13(2)29-12)19-22-17-16(23(19)3)18(27)26(20(28)24(17)4)11-14-5-7-15(21)8-6-14/h5-8,12-13H,9-11H2,1-4H3
InChIKey XWECWJOGMQERCL-UHFFFAOYSA-N
Mol Weight 417.9 g/mol
Molecular Formula C20H24ClN5O3
Exact Mass 417.156767 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FS68Wp15QRd
Name 1-(4-chlorobenzyl)-8-(2,6-dimethyl-4-morpholinyl)-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/C20H24ClN5O3/c1-12-9-25(10-13(2)29-12)19-22-17-16(23(19)3)18(27)26(20(28)24(17)4)11-14-5-7-15(21)8-6-14/h5-8,12-13H,9-11H2,1-4H3
InChIKey XWECWJOGMQERCL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25725
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: D60616; Labnumber: LRP02-0836; SBI_ID: SBI-025729
Temperature 318 °C