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4,6-dimethyl-v-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
SpectraBase Compound ID gcjq1WTSp5
InChI InChI=1S/C6H7N5O2/c1-10-4-3(7-9-8-4)5(12)11(2)6(10)13/h1-2H3,(H,7,8,9)
InChIKey YSKBPNLSRKSFFI-UHFFFAOYSA-N
Mol Weight 181.16 g/mol
Molecular Formula C6H7N5O2
Exact Mass 181.059974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXzamgdvcMj
Name 8-Aza-theophylline
Comments PREDOMINANT TAUTOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7N5O2
InChI InChI=1S/C6H7N5O2/c1-10-4-3(7-9-8-4)5(12)11(2)6(10)13/h1-2H3,(H,7,8,9)
InChIKey YSKBPNLSRKSFFI-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference G. L'Abbe, M.A. Persoons, S. Toppet, Magn. Res. Chem. 25, 362 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6