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3-METHYL-2,4,5-TRIOXO-1,2,3,4,5,6-HEXAHYDRO-7-H-PYRROLO-[2.3-D]-PYRIMIDINE
SpectraBase Compound ID C6BbY9h7Duj
InChI InChI=1S/C7H7N3O3/c1-10-6(12)4-3(11)2-8-5(4)9-7(10)13/h8H,2H2,1H3,(H,9,13)
InChIKey LEZQKCLIZROGNX-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C7H7N3O3
Exact Mass 181.048741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDBSVAv5q1d
Name 3-METHYL-2,4,5-TRIOXO-1,2,3,4,5,6-HEXAHYDRO-7-H-PYRROLO-[2.3-D]-PYRIMIDINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7N3O3
InChI InChI=1S/C7H7N3O3/c1-10-6(12)4-3(11)2-8-5(4)9-7(10)13/h8H,2H2,1H3,(H,9,13)
InChIKey LEZQKCLIZROGNX-UHFFFAOYSA-N
Literature Reference Author M.L.QUIJANO,M.NOGUERAS,A.SANCHEZ,G.A.DECIENFUEGOS,M.MELGAREJ O
Literature Reference Citation J.HETCYCL.CHEM.,27,1079(1990)
Literature Reference DOI 10.1002/jhet.5570270449
Molecular Weight 181.151 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1184