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PIPERIDINIUM-5-CYANO-6-(4-BROMOPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
SpectraBase Compound ID 9cDEoOZeRMS
InChI InChI=1S/C16H15BrN4OS/c17-12-6-4-11(5-7-12)14-13(10-18)15(22)19-16(23)21(14)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H,19,22,23)
InChIKey VSEMFHSRHGEZRT-UHFFFAOYSA-N
Mol Weight 391.29 g/mol
Molecular Formula C16H15BrN4OS
Exact Mass 390.014995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bz6z96C8IOy
Name PIPERIDINIUM-5-CYANO-6-(4-BROMOPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15BrN4OS
InChI InChI=1S/C16H15BrN4OS/c17-12-6-4-11(5-7-12)14-13(10-18)15(22)19-16(23)21(14)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H,19,22,23)
InChIKey VSEMFHSRHGEZRT-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 391.285 g/mol
Sample ID 67502
Solvent DMSO-D6