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PIPERIDINIUM-5-CYANO-6-(3-CHLOROPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
SpectraBase Compound ID Hb8IQKWDhk5
InChI InChI=1S/C16H15ClN4OS/c17-12-6-4-5-11(9-12)14-13(10-18)15(22)19-16(23)21(14)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8H2,(H,19,22,23)
InChIKey WNIKMJOCJSMVJZ-UHFFFAOYSA-N
Mol Weight 346.84 g/mol
Molecular Formula C16H15ClN4OS
Exact Mass 346.06551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XE5akvxJMr
Name PIPERIDINIUM-5-CYANO-6-(3-CHLOROPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15ClN4OS
InChI InChI=1S/C16H15ClN4OS/c17-12-6-4-5-11(9-12)14-13(10-18)15(22)19-16(23)21(14)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8H2,(H,19,22,23)
InChIKey WNIKMJOCJSMVJZ-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 346.834 g/mol
Sample ID 67503
Solvent DMSO-D6