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9,9-DIMETHYL-3-THIOXO-3,4,9,10-TETRAHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
SpectraBase Compound ID GCe8W8n7rDL
InChI InChI=1S/C13H13N3O2S/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 PYLHPGLFKWKLGA-UHFFFAOYSA-N
Mol Weight 275.33 g/mol
Molecular Formula C13H13N3O2S
Exact Mass 275.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMqyLxgdjV0
Name 9,9-DIMETHYL-3-THIOXO-3,4,9,10-TETRAHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O2S
InChI InChI=1S/C13H13N3O2S/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 PYLHPGLFKWKLGA-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 275.325 g/mol
Sample ID 67337
Solvent DMSO-D6