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8-[(1E)-3-(3-chlorophenyl)-1-triazenyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EMTLjbWeOv8
InChI InChI=1S/C13H12ClN7O2/c1-20-10-9(11(22)21(2)13(20)23)15-12(16-10)18-19-17-8-5-3-4-7(14)6-8/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKey QWNBINZKTOUVMX-UHFFFAOYSA-N
Mol Weight 333.74 g/mol
Molecular Formula C13H12ClN7O2
Exact Mass 333.0741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hq9wXfLs4yN
Name 8-[(1E)-3-(3-chlorophenyl)-1-triazenyl]-1,3-dimethyl-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/C13H12ClN7O2/c1-20-10-9(11(22)21(2)13(20)23)15-12(16-10)18-19-17-8-5-3-4-7(14)6-8/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKey QWNBINZKTOUVMX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11432
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: 801986; Labnumber: REA14-176; VK_ID: VK-011437
Synonyms 8-[3-(3-chlorophenyl)-1-triazenyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature 315 °C