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8-CARBAMOYL-3-[D]-METHYLIMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-4(3H)-ONE
SpectraBase Compound ID D2iIYfH2P2H
InChI InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/i1D3
InChIKey BPEGJWRSRHCHSN-FIBGUPNXSA-N
Mol Weight 197.17 g/mol
Molecular Formula C6H32H3N6O2
Exact Mass 197.074054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVuno7grIpQ
Name 8-CARBAMOYL-3-[D]-METHYLIMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-4(3H)-ONE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H32H3N6O2
InChI InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/i1D3
InChIKey BPEGJWRSRHCHSN-FIBGUPNXSA-N
Literature Reference Author Y.WANG,R.T.WHEELHOUSE,L.ZHAO,D.A.F.LANGNEL,M.F.G.STEVENS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1669(1998)
Literature Reference DOI 10.1039/a800572i
Molecular Weight 197.171 g/mol
Solvent DMSO-D6
Source File Reference UWBS666