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1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[[2-(dimethylamino)ethyl]amino]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID CZRpyqIMQYw
InChI InChI=1S/C18H22ClFN6O2/c1-23(2)9-8-21-17-22-15-14(16(27)25(4)18(28)24(15)3)26(17)10-11-12(19)6-5-7-13(11)20/h5-7H,8-10H2,1-4H3,(H,21,22)
InChIKey NMXZFNZNFZYNMA-UHFFFAOYSA-N
Mol Weight 408.87 g/mol
Molecular Formula C18H22ClFN6O2
Exact Mass 408.14768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BZuXciecxSl
Name 1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[[2-(dimethylamino)ethyl]amino]-3,7-dihydro-1,3-dimethyl-
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/C18H22ClFN6O2/c1-23(2)9-8-21-17-22-15-14(16(27)25(4)18(28)24(15)3)26(17)10-11-12(19)6-5-7-13(11)20/h5-7H,8-10H2,1-4H3,(H,21,22)
InChIKey NMXZFNZNFZYNMA-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3025
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/10218828