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7-(4-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 95yAfDywn6B
InChI InChI=1S/C29H28ClN5O2/c1-32-27-26(28(36)33(2)29(32)37)35(19-23-13-15-24(30)16-14-23)25(31-27)20-34(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16H,17-20H2,1-2H3
InChIKey WNEMRMSZWZFTBJ-UHFFFAOYSA-N
Mol Weight 514.03 g/mol
Molecular Formula C29H28ClN5O2
Exact Mass 513.193153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JtwyA1b8vOk
Name 7-(4-chlorobenzyl)-8-[(dibenzylamino)methyl]-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/C29H28ClN5O2/c1-32-27-26(28(36)33(2)29(32)37)35(19-23-13-15-24(30)16-14-23)25(31-27)20-34(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16H,17-20H2,1-2H3
InChIKey WNEMRMSZWZFTBJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9011
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: D51575; Labnumber: UZ01F011-2461; SBI_ID: SBI-009014
Temperature 318 °C