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9,9-DIMETHYL-9,10-DIHYDRO-4H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,3,7-TRIONE
SpectraBase Compound ID BJYozJ59pao
InChI InChI=1S/C13H13N3O3/c1-13(2)3-6-7(8(17)4-13)5-14-10-9(6)11(18)16-12(19)15-10/h5H,3-4H2,1-2H3,(H2,14,15,16,18,19)
InChIKey SEZFCPFITSYQRO-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57w32fsxaBo
Name 9,9-DIMETHYL-9,10-DIHYDRO-4H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,3,7-TRIONE
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-13(2)3-6-7(8(17)4-13)5-14-10-9(6)11(18)16-12(19)15-10/h5H,3-4H2,1-2H3,(H2,14,15,16,18,19)
InChIKey SEZFCPFITSYQRO-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,C.CISNEROS,B.INSUASTY,R.ABONIA,M.NOGUERAS,M.SORTIN O,S.ZACCHINO
Literature Reference Citation J.HETCYCL.CHEM.,43,463(2006)
Literature Reference DOI 10.1002/jhet.5570430231
Molecular Weight 259.265 g/mol
Sample ID 67338
Solvent DMSO-D6