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7-(2,4-dichlorobenzyl)-8-(4-ethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-(2,4-dichlorobenzyl)-8-(4-ethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID LFZ6W9NYJ36
InChI InChI=1S/C22H20Cl2N4O3/c1-4-13-5-9-16(10-6-13)31-21-25-19-18(20(29)27(3)22(30)26(19)2)28(21)12-14-7-8-15(23)11-17(14)24/h5-11H,4,12H2,1-3H3
InChIKey WZZUYXDUBPUQEL-UHFFFAOYSA-N
Mol Weight 459.33 g/mol
Molecular Formula C22H20Cl2N4O3
Exact Mass 458.091246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CMZd2s08MWy
Name 7-(2,4-dichlorobenzyl)-8-(4-ethylphenoxy)-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/C22H20Cl2N4O3/c1-4-13-5-9-16(10-6-13)31-21-25-19-18(20(29)27(3)22(30)26(19)2)28(21)12-14-7-8-15(23)11-17(14)24/h5-11H,4,12H2,1-3H3
InChIKey WZZUYXDUBPUQEL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29045
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: D90858; Labnumber: LRP02-0845; SBI_ID: SBI-029049
Temperature 308 °C