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9,9-DIMETHYL-3-METHYLSULFANYL-9,10-DIHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
SpectraBase Compound ID 7X8Ig1HOb1V
InChI InChI=1S/C14H15N3O2S/c1-14(2)4-7-8(9(18)5-14)6-15-11-10(7)12(19)17-13(16-11)20-3/h6H,4-5H2,1-3H3,(H,15,16,17,19)
InChIKey RPSKIFQOIWJKFI-UHFFFAOYSA-N
Mol Weight 289.35 g/mol
Molecular Formula C14H15N3O2S
Exact Mass 289.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESf0RN9Syqr
Name 9,9-DIMETHYL-3-METHYLSULFANYL-9,10-DIHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15N3O2S
InChI InChI=1S/C14H15N3O2S/c1-14(2)4-7-8(9(18)5-14)6-15-11-10(7)12(19)17-13(16-11)20-3/h6H,4-5H2,1-3H3,(H,15,16,17,19)
InChIKey RPSKIFQOIWJKFI-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 289.352 g/mol
Sample ID 67332
Solvent DMSO-D6