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5-CYANO-6-(4-CYANOPHENYL)-2-THIOPYRIMIDONE

View entire compound with spectra: 1 NMR

5-CYANO-6-(4-CYANOPHENYL)-2-THIOPYRIMIDONE
SpectraBase Compound ID LaHGXX1iRni
InChI InChI=1S/C12H6N4OS/c13-5-7-1-3-8(4-2-7)10-9(6-14)11(17)16-12(18)15-10/h1-4H,(H2,15,16,17,18)
InChIKey DJUUAKBXTYEGIM-UHFFFAOYSA-N
Mol Weight 254.27 g/mol
Molecular Formula C12H6N4OS
Exact Mass 254.026232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7tr4B1l06Qa
Name 5-CYANO-6-(4-CYANOPHENYL)-2-THIOPYRIMIDONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6N4OS
InChI InChI=1S/C12H6N4OS/c13-5-7-1-3-8(4-2-7)10-9(6-14)11(17)16-12(18)15-10/h1-4H,(H2,15,16,17,18)
InChIKey DJUUAKBXTYEGIM-UHFFFAOYSA-N
Literature Reference Author S.BALALAIE,M.BARARJANIAN,F.ROMINGER
Literature Reference Citation J.HETCYCL.CHEM.,43,821(2006)
Literature Reference DOI 10.1002/jhet.5570430402
Molecular Weight 254.266 g/mol
Sample ID 67511
Solvent DMSO-D6