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6-CYANO-5-(4-FLUOROPHENYL)-3,7-DIMETHYL-2-METHYLSULFANYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID K6avbaE7RCg
InChI InChI=1S/C16H13FN4OS/c1-8-11(7-18)12(9-3-5-10(17)6-4-9)13-14(19-8)20-16(23-2)21-15(13)22/h3-6,12H,1-2H3,(H2,19,20,21,22)
InChIKey PUIUPZXUANPUFO-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C16H13FN4OS
Exact Mass 328.07941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16QQ4FQdDTI
Name 6-CYANO-5-(4-FLUOROPHENYL)-3,7-DIMETHYL-2-METHYLSULFANYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13FN4OS
InChI InChI=1S/C16H13FN4OS/c1-8-11(7-18)12(9-3-5-10(17)6-4-9)13-14(19-8)20-16(23-2)21-15(13)22/h3-6,12H,1-2H3,(H2,19,20,21,22)
InChIKey PUIUPZXUANPUFO-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,C.CISNEROS,B.INSUASTY,R.ABONIA,S.CRUZ,M.NOGUERAS,J .M.DELATORRE,M.SORTI
Literature Reference Citation J.HETCYCL.CHEM.,43,299(2006)
Literature Reference DOI 10.1002/jhet.5570430208
Molecular Weight 328.364 g/mol
Sample ID 67233
Solvent DMSO-D6