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7-(4-chlorobenzyl)-1,3-dimethyl-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione

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7-(4-chlorobenzyl)-1,3-dimethyl-8-(1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KjNJe8zjn7Z
InChI InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-3-5-13(19)6-4-12)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
InChIKey SPMXGPZHMVGEIR-UHFFFAOYSA-N
Mol Weight 388.86 g/mol
Molecular Formula C18H21ClN6O2
Exact Mass 388.141452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 67pVvDbSlZY
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-(1-piperazinyl)-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/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-3-5-13(19)6-4-12)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
InChIKey SPMXGPZHMVGEIR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20230
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: D16416; Labnumber: UZROM-3540; SBI_ID: SBI-020234
Temperature 315 °C