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6-CYANO-3,7-DIMETHYL-2-METHYLSULFANYL-5-(4-NITROPHENYL)-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 4tQkKbjWHOB
InChI InChI=1S/C16H13N5O3S/c1-8-11(7-17)12(9-3-5-10(6-4-9)21(23)24)13-14(18-8)19-16(25-2)20-15(13)22/h3-6,12H,1-2H3,(H2,18,19,20,22)
InChIKey CHBLGZXPHINFEL-UHFFFAOYSA-N
Mol Weight 355.37 g/mol
Molecular Formula C16H13N5O3S
Exact Mass 355.07391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1OIoSRgnMw
Name 6-CYANO-3,7-DIMETHYL-2-METHYLSULFANYL-5-(4-NITROPHENYL)-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N5O3S
InChI InChI=1S/C16H13N5O3S/c1-8-11(7-17)12(9-3-5-10(6-4-9)21(23)24)13-14(18-8)19-16(25-2)20-15(13)22/h3-6,12H,1-2H3,(H2,18,19,20,22)
InChIKey CHBLGZXPHINFEL-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 355.371 g/mol
Sample ID 67235
Solvent DMSO-D6