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HRATXUVVFNNZQH-UHFFFAOYSA-N
SpectraBase Compound ID BjBzIFqDdfh
InChI InChI=1S/C11H6N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-2-1-3-7(4-6)15(17)18/h1-4H,(H2,13,14,16,19)
InChIKey HRATXUVVFNNZQH-UHFFFAOYSA-N
Mol Weight 274.25 g/mol
Molecular Formula C11H6N4O3S
Exact Mass 274.016061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSgcGJPbubJ
Name 5-CYANO-6-(3-NITROPHENYL)-2-THIOPYRIMIDONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H6N4O3S
InChI InChI=1S/C11H6N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-2-1-3-7(4-6)15(17)18/h1-4H,(H2,13,14,16,19)
InChIKey HRATXUVVFNNZQH-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 274.254 g/mol
Sample ID 67512
Solvent DMSO-D6