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3,5-BIS-(PARA-METHOXYPHENYLAZO)-6-HYDROXY-4-METHYL-2-THIOXO-2,3-DIHYDROPYRIDINE-3-CARBOXAMIDE
SpectraBase Compound ID 4LWLNru88Pf
InChI InChI=1S/C21H20N6O4S/c1-12-17(26-24-13-4-8-15(30-2)9-5-13)18(28)23-20(32)21(12,19(22)29)27-25-14-6-10-16(31-3)11-7-14/h4-11H,1-3H3,(H2,22,29)(H,23,28,32)/b26-24+,27-25+
InChIKey MLMSRODYMCBRLR-OWUYFMIJSA-N
Mol Weight 452.49 g/mol
Molecular Formula C21H20N6O4S
Exact Mass 452.126674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aRMA7ZXvQp
Name 3,5-BIS-(PARA-METHOXYPHENYLAZO)-6-HYDROXY-4-METHYL-2-THIOXO-2,3-DIHYDROPYRIDINE-3-CARBOXAMIDE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N6O4S
InChI InChI=1S/C21H20N6O4S/c1-12-17(26-24-13-4-8-15(30-2)9-5-13)18(28)23-20(32)21(12,19(22)29)27-25-14-6-10-16(31-3)11-7-14/h4-11H,1-3H3,(H2,22,29)(H,23,28,32)/b26-24+,27-25+
InChIKey MLMSRODYMCBRLR-OWUYFMIJSA-N
Literature Reference Author A.M.S.YOUSSEF,M.E.AZAB,M.M.YOUSSEF
Literature Reference Citation MOLECULES,17,6930(2012)
Literature Reference DOI 10.3390/molecules17066930
Molecular Weight 452.488 g/mol
Sample ID 929
Solvent DMSO-D6