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2-ETHYLTHIO-3-(4-CHLOROPHENYL)-5,7-DIMETHYLPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID IbIYW3BU415
InChI InChI=1S/C17H16ClN3OS/c1-4-23-17-20-15-14(10(2)9-11(3)19-15)16(22)21(17)13-7-5-12(18)6-8-13/h5-9H,4H2,1-3H3
InChIKey XFWHNLNDBJQSMP-UHFFFAOYSA-N
Mol Weight 345.85 g/mol
Molecular Formula C17H16ClN3OS
Exact Mass 345.070261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MtFrPDes5
Name 2-ETHYLTHIO-3-(4-CHLOROPHENYL)-5,7-DIMETHYLPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 6L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16ClN3OS
InChI InChI=1S/C17H16ClN3OS/c1-4-23-17-20-15-14(10(2)9-11(3)19-15)16(22)21(17)13-7-5-12(18)6-8-13/h5-9H,4H2,1-3H3
InChIKey XFWHNLNDBJQSMP-UHFFFAOYSA-N
Literature Reference Author C.G.DAVE,K.J.PATEL
Literature Reference Citation J.HETCYCL.CHEM.,38,457(2001)
Literature Reference DOI 10.1002/jhet.5570380223
Molecular Weight 345.847 g/mol
Solvent DMSO-D6
Source File Reference UWLU21189