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10-BENZYL-4-OXO-4,10-DIHYDROPYRIMIDO-[4,5-B]-QUINOLIN-2(3H)-IMINIUM-4-TOLUENESULFONATE

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10-BENZYL-4-OXO-4,10-DIHYDROPYRIMIDO-[4,5-B]-QUINOLIN-2(3H)-IMINIUM-4-TOLUENESULFONATE
SpectraBase Compound ID 8u9iwKPL1Ej
InChI InChI=1S/C18H14N4O.C7H8O3S/c19-18-20-16-14(17(23)21-18)10-13-8-4-5-9-15(13)22(16)11-12-6-2-1-3-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11H2,(H2,19,21,23);2-5H,1H3,(H,8,9,10)
InChIKey SMSOHAXKDVBTOP-UHFFFAOYSA-N
Mol Weight 474.53 g/mol
Molecular Formula C25H22N4O4S
Exact Mass 474.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XIGN5lufpp
Name 10-BENZYL-4-OXO-4,10-DIHYDROPYRIMIDO-[4,5-B]-QUINOLIN-2(3H)-IMINIUM-4-TOLUENESULFONATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22N4O4S
InChI InChI=1S/C18H14N4O.C7H8O3S/c19-18-20-16-14(17(23)21-18)10-13-8-4-5-9-15(13)22(16)11-12-6-2-1-3-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11H2,(H2,19,21,23);2-5H,1H3,(H,8,9,10)
InChIKey SMSOHAXKDVBTOP-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 474.534 g/mol
Sample ID 72505
Solvent DMSO-D6