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4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
SpectraBase Compound ID 9G50AigrEni
InChI InChI=1S/C6H5N5O3/c1-10-6(14)11-2-7-3(5(12)13)4(11)8-9-10/h2H,1H3,(H,12,13)
InChIKey VVTMIOYTNALQAW-UHFFFAOYSA-N
Mol Weight 195.14 g/mol
Molecular Formula C6H5N5O3
Exact Mass 195.039239 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LoKL0oszd7X
Name 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N5O3
InChI InChI=1S/C6H5N5O3/c1-10-6(14)11-2-7-3(5(12)13)4(11)8-9-10/h2H,1H3,(H,12,13)
InChIKey VVTMIOYTNALQAW-UHFFFAOYSA-N
Literature Reference Author R.T.WHEELHOUSE,D.E.V.WILMAN,W.THOMSON,M.F.G.STEVENS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,249(1995)
Solvent DMSO
Source File Reference UWSF1430