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1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]-
SpectraBase Compound ID 4d7l38i40Jx
InChI InChI=1S/C25H26ClFN6O2/c1-29-22-21(23(34)30(2)25(29)35)33(16-18-19(26)9-6-10-20(18)27)24(28-22)32-13-11-31(12-14-32)15-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3
InChIKey YAVRCYWCZWJLKW-UHFFFAOYSA-N
Mol Weight 496.97 g/mol
Molecular Formula C25H26ClFN6O2
Exact Mass 496.17898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1trWluZ209Q
Name 1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]-
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/C25H26ClFN6O2/c1-29-22-21(23(34)30(2)25(29)35)33(16-18-19(26)9-6-10-20(18)27)24(28-22)32-13-11-31(12-14-32)15-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3
InChIKey YAVRCYWCZWJLKW-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3024
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/10218827