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7,10-DIMETHYL-4-OXO-4,10-DIHYDROPYRIMIDO-[4,5-B]-QUINOLIN-2(3H)-IMINIUM-4-TOLUENESULFONATE
SpectraBase Compound ID 8Kne25axXCw
InChI InChI=1S/C13H12N4O.C7H8O3S/c1-7-3-4-10-8(5-7)6-9-11(17(10)2)15-13(14)16-12(9)18;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3,(H2,14,16,18);2-5H,1H3,(H,8,9,10)
InChIKey MXMJOBCDWONIRZ-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItdC8xQ0tbx
Name 7,10-DIMETHYL-4-OXO-4,10-DIHYDROPYRIMIDO-[4,5-B]-QUINOLIN-2(3H)-IMINIUM-4-TOLUENESULFONATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N4O4S
InChI InChI=1S/C13H12N4O.C7H8O3S/c1-7-3-4-10-8(5-7)6-9-11(17(10)2)15-13(14)16-12(9)18;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3,(H2,14,16,18);2-5H,1H3,(H,8,9,10)
InChIKey MXMJOBCDWONIRZ-UHFFFAOYSA-N
Literature Reference Author J.TRILLERAS,L.G.LOPEZ,D.J.PACHECO,J.QUIROGA,M.NOGUERAS,J.M.D ELATORRE,J.COBO
Literature Reference Citation MOLECULES,15,7227(2010)
Literature Reference DOI 10.3390/molecules15107227
Molecular Weight 412.463 g/mol
Sample ID 72506
Solvent DMSO-D6