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4-METHOXY-5-METHYL-2-[(5-CARBOXY-8-QUINOLYL)-THIO]-PYRIMIDINE
SpectraBase Compound ID L7lm1LpMBS9
InChI InChI=1S/C16H13N3O3S/c1-9-8-18-16(19-14(9)22-2)23-12-6-5-11(15(20)21)10-4-3-7-17-13(10)12/h3-8H,1-2H3,(H,20,21)
InChIKey PLVDVLZHLUORLA-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qUIIHIcc7O
Name 4-METHOXY-5-METHYL-2-[(5-CARBOXY-8-QUINOLYL)-THIO]-PYRIMIDINE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O3S
InChI InChI=1S/C16H13N3O3S/c1-9-8-18-16(19-14(9)22-2)23-12-6-5-11(15(20)21)10-4-3-7-17-13(10)12/h3-8H,1-2H3,(H,20,21)
InChIKey PLVDVLZHLUORLA-UHFFFAOYSA-N
Literature Reference Author M.P.ZAWISTOSKI
Literature Reference Citation J.HETCYCL.CHEM.,28,657(1991)
Literature Reference DOI 10.1002/jhet.5570280321
Molecular Weight 327.358 g/mol
Solvent DMSO-D6
Source File Reference UWCS20170