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2,9,9-TRIMETHYL-3-METHYLSULFANYL-9,10-DIHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
SpectraBase Compound ID 8uCGjArsv6y
InChI InChI=1S/C15H17N3O2S/c1-15(2)5-8-9(10(19)6-15)7-16-12-11(8)13(20)18(3)14(17-12)21-4/h7H,5-6H2,1-4H3
InChIKey ZHKBWDLANRVBRM-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C15H17N3O2S
Exact Mass 303.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49O6XVDp68q
Name 2,9,9-TRIMETHYL-3-METHYLSULFANYL-9,10-DIHYDRO-2H,8H-PYRIMIDO-[4,5-C]-ISOQUINOLINE-1,7-DIONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N3O2S
InChI InChI=1S/C15H17N3O2S/c1-15(2)5-8-9(10(19)6-15)7-16-12-11(8)13(20)18(3)14(17-12)21-4/h7H,5-6H2,1-4H3
InChIKey ZHKBWDLANRVBRM-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 303.379 g/mol
Sample ID 67331
Solvent DMSO-D6