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7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID JzxZZA91Mbv
InChI InChI=1S/C20H25ClN6O2/c1-23-8-10-26(11-9-23)13-16-22-18-17(19(28)25(3)20(29)24(18)2)27(16)12-14-4-6-15(21)7-5-14/h4-7H,8-13H2,1-3H3
InChIKey OQCPDAXZHCQOTR-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C20H25ClN6O2
Exact Mass 416.172752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVJiMMqNFzq
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)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/C20H25ClN6O2/c1-23-8-10-26(11-9-23)13-16-22-18-17(19(28)25(3)20(29)24(18)2)27(16)12-14-4-6-15(21)7-5-14/h4-7H,8-13H2,1-3H3
InChIKey OQCPDAXZHCQOTR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8408
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: D51542; Labnumber: UZ01F011-2395; SBI_ID: SBI-008411
Temperature 318 °C