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1-(CHLOROMETHYL)-4,5-DI-(PYRIMIDIN-2-YLSULFANYL)-PYRIDIN-6-ONE
SpectraBase Compound ID Ft5N9l7fWSV
InChI InChI=1S/C13H9ClN6OS2/c14-8-20-11(21)10(23-13-17-5-2-6-18-13)9(7-19-20)22-12-15-3-1-4-16-12/h1-7H,8H2
InChIKey AAFYMIQMIOGQHL-UHFFFAOYSA-N
Mol Weight 364.83 g/mol
Molecular Formula C13H9ClN6OS2
Exact Mass 363.996779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XiHC7zCtqk
Name 1-(CHLOROMETHYL)-4,5-DI-(PYRIMIDIN-2-YLSULFANYL)-PYRIDIN-6-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9ClN6OS2
InChI InChI=1S/C13H9ClN6OS2/c14-8-20-11(21)10(23-13-17-5-2-6-18-13)9(7-19-20)22-12-15-3-1-4-16-12/h1-7H,8H2
InChIKey AAFYMIQMIOGQHL-UHFFFAOYSA-N
Literature Reference Author H.A.CHUNG,Y.J.KANG,Y.J.YOON
Literature Reference Citation J.HETCYCL.CHEM.,35,1257(1998)
Literature Reference DOI 10.1002/jhet.5570350603
Molecular Weight 364.827 g/mol
Solvent CDCl3
Source File Reference UWCS25137