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1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(2-phenylethyl)amino]-
SpectraBase Compound ID KjS6G5Tmagl
InChI InChI=1S/C22H21ClFN5O2/c1-27-19-18(20(30)28(2)22(27)31)29(13-15-16(23)9-6-10-17(15)24)21(26-19)25-12-11-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3,(H,25,26)
InChIKey RYXXXKNMBJHVDC-UHFFFAOYSA-N
Mol Weight 441.89 g/mol
Molecular Formula C22H21ClFN5O2
Exact Mass 441.136781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lci7dPspOEJ
Name 1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(2-phenylethyl)amino]-
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/C22H21ClFN5O2/c1-27-19-18(20(30)28(2)22(27)31)29(13-15-16(23)9-6-10-17(15)24)21(26-19)25-12-11-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3,(H,25,26)
InChIKey RYXXXKNMBJHVDC-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3030
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/10218835