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1-[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
SpectraBase Compound ID HfQR6ltXxip
InChI InChI=1S/C20H22Cl2N6O3/c1-25-17-15(18(30)26(2)20(25)31)28(10-12-3-4-13(21)9-14(12)22)19(24-17)27-7-5-11(6-8-27)16(23)29/h3-4,9,11H,5-8,10H2,1-2H3,(H2,23,29)
InChIKey SKTUCCNYAVYMQM-UHFFFAOYSA-N
Mol Weight 465.34 g/mol
Molecular Formula C20H22Cl2N6O3
Exact Mass 464.113044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L60egofJVda
Name 1-[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
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/C20H22Cl2N6O3/c1-25-17-15(18(30)26(2)20(25)31)28(10-12-3-4-13(21)9-14(12)22)19(24-17)27-7-5-11(6-8-27)16(23)29/h3-4,9,11H,5-8,10H2,1-2H3,(H2,23,29)
InChIKey SKTUCCNYAVYMQM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9624
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: D55541; Labnumber: LRP02-0761; SBI_ID: SBI-009627
Temperature 318 °C