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8-(2-chlorophenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

8-(2-chlorophenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KRh8AqxApRi
InChI InChI=1S/C20H16ClFN4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-7-3-5-9-14(12)22)19(23-17)29-15-10-6-4-8-13(15)21/h3-10H,11H2,1-2H3
InChIKey UXZDPLACHWCECB-UHFFFAOYSA-N
Mol Weight 414.82 g/mol
Molecular Formula C20H16ClFN4O3
Exact Mass 414.089496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7CzeAvW2eEM
Name 8-(2-chlorophenoxy)-7-(2-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/C20H16ClFN4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-7-3-5-9-14(12)22)19(23-17)29-15-10-6-4-8-13(15)21/h3-10H,11H2,1-2H3
InChIKey UXZDPLACHWCECB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6138
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/11242376; Labnumber: SAD-0003030; IOH_ID: IOH-006139