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C5H5N(CH2)7COO;1-(OMEGA-CARBOXYHEPTYL)-PYRIDINIUM
SpectraBase Compound ID DINtkm14RKC
InChI InChI=1S/C13H19NO2/c15-13(16)9-5-2-1-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKey PQZYGHHEQYFRRY-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DY3Q0ReszIC
Name C5H5N(CH2)7COO;1-(OMEGA-CARBOXYHEPTYL)-PYRIDINIUM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c15-13(16)9-5-2-1-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKey PQZYGHHEQYFRRY-UHFFFAOYSA-N
Literature Reference Author M.SZAFRAN,Z.DEGA-SZAFRAN,A.KATRUSIAK,G.BUCZAK,T.GLOWIAK,J.SI TKOWSKI,L.STEFANIAK
Literature Reference Citation J.ORG.CHEM.,63,2898(1998)
Literature Reference DOI 10.1021/jo9720694
Molecular Weight 221.299 g/mol
Sample ID 37121
Solvent D2O