John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=gcjq1WTSp5 SpectraBase Spectrum ID=1Kv9cf2mYHd

(accessed ).
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 181.059975 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Kv9cf2mYHd
Name 8-AZATHEOPHYLLINE;4,6-DIMETHYL-5,7-DIOXO-1,2,3-TRIAZOLO-[4,5-D]-PYRIMIDINE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author G.L'ABBE,M.A.PERSOONS,S.TOPPET
Literature Reference Citation MAGN.RES.CHEM.,25,362(1987)
Literature Reference DOI 10.1002/mrc.1260250418
Solvent DMFA-D7
Source File Reference UWRH744
SpectraBase Batch ID 9iR9EgI7Buc