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PIPERIDINIUM-5-CYANO-6-PHENYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
SpectraBase Compound ID 8GrvukrE5QZ
InChI InChI=1S/C16H16N4OS/c17-11-13-14(12-7-3-1-4-8-12)20(16(22)18-15(13)21)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,21,22)
InChIKey LRYBNDQDGKXIBA-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C16H16N4OS
Exact Mass 312.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5EvZnpbn59
Name PIPERIDINIUM-5-CYANO-6-PHENYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N4OS
InChI InChI=1S/C16H16N4OS/c17-11-13-14(12-7-3-1-4-8-12)20(16(22)18-15(13)21)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,21,22)
InChIKey LRYBNDQDGKXIBA-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 312.389 g/mol
Sample ID 67501
Solvent DMSO-D6