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1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-
SpectraBase Compound ID 5cgiWxVMFNq
InChI InChI=1S/C21H19ClFN5O2/c1-26-18-17(19(29)27(2)21(26)30)28(12-14-15(22)9-6-10-16(14)23)20(25-18)24-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKey GDOPQLOPLMUMJN-UHFFFAOYSA-N
Mol Weight 427.87 g/mol
Molecular Formula C21H19ClFN5O2
Exact Mass 427.121131 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5WxGTD6nkcF
Name 1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(phenylmethyl)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/C21H19ClFN5O2/c1-26-18-17(19(29)27(2)21(26)30)28(12-14-15(22)9-6-10-16(14)23)20(25-18)24-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKey GDOPQLOPLMUMJN-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3029
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/10218834