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IRXNEFZOFSGSIL-UHFFFAOYSA-N

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IRXNEFZOFSGSIL-UHFFFAOYSA-N
SpectraBase Compound ID u4o8mddG0B
InChI InChI=1S/C11H7N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16)
InChIKey IRXNEFZOFSGSIL-UHFFFAOYSA-N
Mol Weight 229.26 g/mol
Molecular Formula C11H7N3OS
Exact Mass 229.030983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GwVYJ2juww
Name 5-CYANO-6-PHENYL-2-THIOPYRIMIDONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H7N3OS
InChI InChI=1S/C11H7N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16)
InChIKey IRXNEFZOFSGSIL-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 229.256 g/mol
Sample ID 67507
Solvent DMSO-D6