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(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile

View entire compound with spectra: 1 NMR

(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
SpectraBase Compound ID KopdUiVoUdP
InChI InChI=1S/C9H8BrN5O2/c1-13-6-5(7(16)14(2)9(13)17)15(4-3-11)8(10)12-6/h4H2,1-2H3
InChIKey XYXCWYGSQAFTKC-UHFFFAOYSA-N
Mol Weight 298.1 g/mol
Molecular Formula C9H8BrN5O2
Exact Mass 296.986138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KuDw0khB9gv
Name (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
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/C9H8BrN5O2/c1-13-6-5(7(16)14(2)9(13)17)15(4-3-11)8(10)12-6/h4H2,1-2H3
InChIKey XYXCWYGSQAFTKC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_870
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: NMR/9236195; Labnumber: SAD-e180014; IOH_ID: IOH-000871
Temperature 303 °C