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8-[benzyl(methyl)amino]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID JFWRqckp70n
InChI InChI=1S/C22H22ClN5O2/c1-25(13-15-7-5-4-6-8-15)21-24-19-18(20(29)27(3)22(30)26(19)2)28(21)14-16-9-11-17(23)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey IRPCFZNHNAZXEL-UHFFFAOYSA-N
Mol Weight 423.9 g/mol
Molecular Formula C22H22ClN5O2
Exact Mass 423.146203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2sv2q0zXc74
Name 8-[benzyl(methyl)amino]-7-(4-chlorobenzyl)-1,3-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/C22H22ClN5O2/c1-25(13-15-7-5-4-6-8-15)21-24-19-18(20(29)27(3)22(30)26(19)2)28(21)14-16-9-11-17(23)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey IRPCFZNHNAZXEL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20228
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: D16414; Labnumber: UZROM-3538; SBI_ID: SBI-020232
Temperature 315 °C