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5-CYANO-6-METHYL-1-PHENYL-3-PYRIDINIO-2-THIOXO-1,2-DIHYDRO-PYRIDIN-4-OLATE
SpectraBase Compound ID J6pDSYmh6Sj
InChI InChI=1S/C18H13N3OS/c1-13-15(12-19)17(22)16(20-10-6-3-7-11-20)18(23)21(13)14-8-4-2-5-9-14/h2-11H,1H3
InChIKey RALGSLIMWPKWFM-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K70IYdQ0Oss
Name 5-CYANO-6-METHYL-1-PHENYL-3-PYRIDINIO-2-THIOXO-1,2-DIHYDRO-PYRIDIN-4-OLATE
Compound Number 9A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c1-13-15(12-19)17(22)16(20-10-6-3-7-11-20)18(23)21(13)14-8-4-2-5-9-14/h2-11H,1H3
InChIKey RALGSLIMWPKWFM-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,M.REHWALD,K.ECKERT,H.SCHAEFER,M.GRUNER
Literature Reference Citation MH.CHEM.,126,711(1995)
Literature Reference DOI 10.1007/BF00807162
Molecular Weight 319.381 g/mol
Solvent DMSO-D6
Source File Reference UWPB18