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3-[1,3-dimethyl-2,6-dioxo-8-(4-phenyl-1-piperazinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
SpectraBase Compound ID Jiq4s8derG4
InChI InChI=1S/C20H23N7O2/c1-23-17-16(18(28)24(2)20(23)29)27(10-6-9-21)19(22-17)26-13-11-25(12-14-26)15-7-4-3-5-8-15/h3-5,7-8H,6,10-14H2,1-2H3
InChIKey XITPJOTZEGDUCB-UHFFFAOYSA-N
Mol Weight 393.45 g/mol
Molecular Formula C20H23N7O2
Exact Mass 393.191323 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 11XQAUjs4e7
Name 3-[1,3-dimethyl-2,6-dioxo-8-(4-phenyl-1-piperazinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
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/C20H23N7O2/c1-23-17-16(18(28)24(2)20(23)29)27(10-6-9-21)19(22-17)26-13-11-25(12-14-26)15-7-4-3-5-8-15/h3-5,7-8H,6,10-14H2,1-2H3
InChIKey XITPJOTZEGDUCB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22693
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: D35351; Labnumber: UZROM-3776; SBI_ID: SBI-022697
Temperature 306 °C