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8,8-DIMETHYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-5-PHENYL-PYRIMIDO-[4,5-B]-QUINOLINE-4,6-DIONE
SpectraBase Compound ID HhWsCPrpTW0
InChI InChI=1S/C20H21N3O2S/c1-20(2)9-12-15(13(24)10-20)14(11-7-5-4-6-8-11)16-17(21-12)22-19(26-3)23-18(16)25/h4-8,14H,9-10H2,1-3H3,(H2,21,22,23,25)
InChIKey SKXBCFPTJYNHPD-UHFFFAOYSA-N
Mol Weight 367.47 g/mol
Molecular Formula C20H21N3O2S
Exact Mass 367.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3OwGcaMSzI
Name 8,8-DIMETHYL-5,6,7,8,9,10-HEXAHYDRO-2-METHYLTHIO-5-PHENYL-PYRIMIDO-[4,5-B]-QUINOLINE-4,6-DIONE
Compound Number 4 E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3O2S
InChI InChI=1S/C20H21N3O2S/c1-20(2)9-12-15(13(24)10-20)14(11-7-5-4-6-8-11)16-17(21-12)22-19(26-3)23-18(16)25/h4-8,14H,9-10H2,1-3H3,(H2,21,22,23,25)
InChIKey SKXBCFPTJYNHPD-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 367.466 g/mol
Solvent DMSO-D6
Source File Reference UWCS25185