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6-METYHL-7-METYHLAMINO-6H-[7A-(13)C]-IMIDAZO-[1,5-C]-IMIDAZOLE-1,3,5-TRIONE
SpectraBase Compound ID 4Ham2keIxH8
InChI InChI=1S/C7H8N4O3/c1-8-4-3-5(12)9-6(13)11(3)7(14)10(4)2/h8H,1-2H3,(H,9,12,13)/i3+1
InChIKey UGQFCVOMAFOTGQ-LBPDFUHNSA-N
Mol Weight 197.16 g/mol
Molecular Formula C613CH8N4O3
Exact Mass 197.062995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RffiMpAVMH
Name 6-METYHL-7-METYHLAMINO-6H-[7A-(13)C]-IMIDAZO-[1,5-C]-IMIDAZOLE-1,3,5-TRIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8N4O3
InChI InChI=1S/C7H8N4O3/c1-8-4-3-5(12)9-6(13)11(3)7(14)10(4)2/h8H,1-2H3,(H,9,12,13)/i3+1
InChIKey UGQFCVOMAFOTGQ-LBPDFUHNSA-N
Literature Reference Author N.POJE,M.POJE
Literature Reference Citation ORG.LETTERS,5,4265(2003)
Literature Reference DOI 10.1021/ol035429k
Molecular Weight 196.166 g/mol
Sample ID 38887
Solvent TFA:CD3OD=1:9