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8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5EO1tXBep5Y
InChI InChI=1S/C25H29N5O2/c1-27(17-20-13-8-5-9-14-20)18-21-26-23-22(24(31)29(3)25(32)28(23)2)30(21)16-10-15-19-11-6-4-7-12-19/h4-9,11-14H,10,15-18H2,1-3H3
InChIKey MWCSXTGSSKNQJY-UHFFFAOYSA-N
Mol Weight 431.54 g/mol
Molecular Formula C25H29N5O2
Exact Mass 431.232125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GepXrBTHNMH
Name 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-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/C25H29N5O2/c1-27(17-20-13-8-5-9-14-20)18-21-26-23-22(24(31)29(3)25(32)28(23)2)30(21)16-10-15-19-11-6-4-7-12-19/h4-9,11-14H,10,15-18H2,1-3H3
InChIKey MWCSXTGSSKNQJY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9019
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: D51586; Labnumber: UZ01F011-2475; SBI_ID: SBI-009022
Temperature 318 °C