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8-(4-tert-butylphenoxy)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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8-(4-tert-butylphenoxy)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6wQaiVWAW28
InChI InChI=1S/C24H25ClN4O3/c1-24(2,3)16-10-12-17(13-11-16)32-22-26-20-19(21(30)28(5)23(31)27(20)4)29(22)14-15-8-6-7-9-18(15)25/h6-13H,14H2,1-5H3
InChIKey NMUWTZHPQKZTGA-UHFFFAOYSA-N
Mol Weight 452.94 g/mol
Molecular Formula C24H25ClN4O3
Exact Mass 452.161518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5EXHwTXqNW
Name 8-(4-tert-butylphenoxy)-7-(2-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/C24H25ClN4O3/c1-24(2,3)16-10-12-17(13-11-16)32-22-26-20-19(21(30)28(5)23(31)27(20)4)29(22)14-15-8-6-7-9-18(15)25/h6-13H,14H2,1-5H3
InChIKey NMUWTZHPQKZTGA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4987
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: NMR/10322032; Labnumber: 2708; IOH_ID: IOH-004988