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1H-purine-2,6-dione, 8-[[(2-chloro-4-fluorophenyl)methyl]thio]-7-[(3-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID Lx9xCE1PIKu
InChI InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-4-3-5-14(22)8-12)20(25-18)31-11-13-6-7-15(24)9-16(13)23/h3-9H,10-11H2,1-2H3
InChIKey LVKNPZZGFKKQEB-UHFFFAOYSA-N
Mol Weight 479.36 g/mol
Molecular Formula C21H17Cl2FN4O2S
Exact Mass 478.043331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3qCPep5FeMo
Name 1H-purine-2,6-dione, 8-[[(2-chloro-4-fluorophenyl)methyl]thio]-7-[(3-chlorophenyl)methyl]-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/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-4-3-5-14(22)8-12)20(25-18)31-11-13-6-7-15(24)9-16(13)23/h3-9H,10-11H2,1-2H3
InChIKey LVKNPZZGFKKQEB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1478
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/11259685