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1-(4-AMINO-3-CYANO-2-OXO-4-PHENYL-BUT-3-EN-1-YL)-PYRIDINIUM-CHLORIDE

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1-(4-AMINO-3-CYANO-2-OXO-4-PHENYL-BUT-3-EN-1-YL)-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID 2AnBmmj1C9h
InChI InChI=1S/C16H13N3O.ClH/c17-11-14(16(18)13-7-3-1-4-8-13)15(20)12-19-9-5-2-6-10-19;/h1-10H,12H2,(H-,18,20);1H
InChIKey NMNPBJGIHIBFLY-UHFFFAOYSA-N
Mol Weight 299.76 g/mol
Molecular Formula C16H14ClN3O
Exact Mass 299.08254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tKMWYVKOrt
Name 1-(4-AMINO-3-CYANO-2-OXO-4-PHENYL-BUT-3-EN-1-YL)-PYRIDINIUM-CHLORIDE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14ClN3O
InChI InChI=1S/C16H13N3O.ClH/c17-11-14(16(18)13-7-3-1-4-8-13)15(20)12-19-9-5-2-6-10-19;/h1-10H,12H2,(H-,18,20);1H
InChIKey NMNPBJGIHIBFLY-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 299.760 g/mol
Solvent DMSO-D6
Source File Reference UWPB4