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methyl {8-[(4-benzyl-1-piperazinyl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
SpectraBase Compound ID HbgbiikFaH
InChI InChI=1S/C22H28N6O4/c1-24-20-19(21(30)25(2)22(24)31)28(15-18(29)32-3)17(23-20)14-27-11-9-26(10-12-27)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey MZSXPZMPSRBHMI-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C22H28N6O4
Exact Mass 440.217203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6CePqFkttqX
Name methyl {8-[(4-benzyl-1-piperazinyl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
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/C22H28N6O4/c1-24-20-19(21(30)25(2)22(24)31)28(15-18(29)32-3)17(23-20)14-27-11-9-26(10-12-27)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey MZSXPZMPSRBHMI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9029
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: D51599; Labnumber: UZ01F011-2509; SBI_ID: SBI-009032
Temperature 318 °C