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7-benzyl-8-[4-(2-chlorobenzyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DMoKfgc7ItX
InChI InChI=1S/C24H25ClN6O2/c1-28-21-20(22(32)27-24(28)33)31(15-17-7-3-2-4-8-17)23(26-21)30-13-11-29(12-14-30)16-18-9-5-6-10-19(18)25/h2-10H,11-16H2,1H3,(H,27,32,33)
InChIKey MTCKCUFCHKUEJZ-UHFFFAOYSA-N
Mol Weight 464.96 g/mol
Molecular Formula C24H25ClN6O2
Exact Mass 464.172752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6pFp0WFccED
Name 7-benzyl-8-[4-(2-chlorobenzyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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/C24H25ClN6O2/c1-28-21-20(22(32)27-24(28)33)31(15-17-7-3-2-4-8-17)23(26-21)30-13-11-29(12-14-30)16-18-9-5-6-10-19(18)25/h2-10H,11-16H2,1H3,(H,27,32,33)
InChIKey MTCKCUFCHKUEJZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26831
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: D67360; Labnumber: UZ01F011-4230; SBI_ID: SBI-026835
Temperature 308 °C