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FAYRYOFLEZZUEF-UHFFFAOYSA-N
SpectraBase Compound ID 9rVbJ25RtBZ
InChI InChI=1S/C21H23N3O3S/c1-21(2)9-13-16(14(25)10-21)15(11-5-7-12(27-3)8-6-11)17-18(22-13)23-20(28-4)24-19(17)26/h5-8,15H,9-10H2,1-4H3,(H2,22,23,24,26)
InChIKey FAYRYOFLEZZUEF-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbLt9zmLuOb
Name 8,8-DIMETHYL-5,6,7,8,9,10-HEXAHYDRO-5-(4-METHOXYPHENYL)-2-METHYLTHIO-PYRIMIDO-[4,5-B]-QUINOLINE-4,6-DIONE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-21(2)9-13-16(14(25)10-21)15(11-5-7-12(27-3)8-6-11)17-18(22-13)23-20(28-4)24-19(17)26/h5-8,15H,9-10H2,1-4H3,(H2,22,23,24,26)
InChIKey FAYRYOFLEZZUEF-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 397.492 g/mol
Solvent DMSO-D6
Source File Reference UWCS25186