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FTGSSACNKDXGKV-UHFFFAOYSA-N
SpectraBase Compound ID H8dL11l4V8t
InChI InChI=1S/C20H20N4O4S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey FTGSSACNKDXGKV-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQC9kW7GU0M
Name 8,8-DIMETHYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-5-(4-NITROPHENYL)-PYRIMIDO-[4,5-B]-QUINOLINE-4,6-DIONE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N4O4S
InChI InChI=1S/C20H20N4O4S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey FTGSSACNKDXGKV-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 412.463 g/mol
Solvent DMSO-D6
Source File Reference UWCS25188