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5-(4-CHLOROPHENYL)-8,8-DIMETHYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-PYRIMIDO-[4,5-B]-QUINOLINE-4,6-DIONE
SpectraBase Compound ID 3nlDUXksE7z
InChI InChI=1S/C20H20ClN3O2S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(21)7-5-10)16-17(22-12)23-19(27-3)24-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,22,23,24,26)
InChIKey ZMYPFBCXMULJNO-UHFFFAOYSA-N
Mol Weight 401.91 g/mol
Molecular Formula C20H20ClN3O2S
Exact Mass 401.096476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAwwpu1dsK5
Name 5-(4-CHLOROPHENYL)-8,8-DIMETHYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-PYRIMIDO-[4,5-B]-QUINOLINE-4,6-DIONE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20ClN3O2S
InChI InChI=1S/C20H20ClN3O2S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(21)7-5-10)16-17(22-12)23-19(27-3)24-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,22,23,24,26)
InChIKey ZMYPFBCXMULJNO-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,A.HORMAZA,B.INSUASTY,A.J.ORTIZ,A.SANCHEZ,M.NOGUERA S
Literature Reference Citation J.HETCYCL.CHEM.,35,231(1998)
Literature Reference DOI 10.1002/jhet.5570350142
Molecular Weight 401.911 g/mol
Solvent DMSO-D6
Source File Reference UWCS25187