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8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID ES1U2Rbm3OK
InChI InChI=1S/C30H31N5O2/c1-22-14-16-25(17-15-22)20-35-26(31-28-27(35)29(36)33(3)30(37)32(28)2)21-34(18-23-10-6-4-7-11-23)19-24-12-8-5-9-13-24/h4-17H,18-21H2,1-3H3
InChIKey XQRQNGHGUASPJC-UHFFFAOYSA-N
Mol Weight 493.61 g/mol
Molecular Formula C30H31N5O2
Exact Mass 493.247775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GRQMSN799QI
Name 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(4-methylbenzyl)-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/C30H31N5O2/c1-22-14-16-25(17-15-22)20-35-26(31-28-27(35)29(36)33(3)30(37)32(28)2)21-34(18-23-10-6-4-7-11-23)19-24-12-8-5-9-13-24/h4-17H,18-21H2,1-3H3
InChIKey XQRQNGHGUASPJC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9018
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: D51585; Labnumber: UZ01F011-2474; SBI_ID: SBI-009021
Temperature 318 °C