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8-[(dibenzylamino)methyl]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AObJ90SRVCj
InChI InChI=1S/C29H28FN5O2/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 LZPKCCYNPZEFOT-UHFFFAOYSA-N
Mol Weight 497.57 g/mol
Molecular Formula C29H28FN5O2
Exact Mass 497.222703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19NC91KWUbj
Name 8-[(dibenzylamino)methyl]-7-(4-fluorobenzyl)-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/C29H28FN5O2/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 LZPKCCYNPZEFOT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21974
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: D58115; Labnumber: UZ01F011-2516; SBI_ID: SBI-021978
Temperature 308 °C