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C(13)-PEN;C(13)-PENCLOMEDINE;C(13)-3,5-DICHLORO-4,6-DIMETHOXY-2-(TRICHLOROMETHYL)-PYRIDINE
SpectraBase Compound ID KPWORZR9PCC
InChI InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3/i1+1
InChIKey DZVPGIORVGSQMC-OUBTZVSYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C713CH6Cl5NO2
Exact Mass 323.887472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WeyIy6d9di
Name C(13)-PEN;C(13)-PENCLOMEDINE;C(13)-3,5-DICHLORO-4,6-DIMETHOXY-2-(TRICHLOROMETHYL)-PYRIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C713CH6Cl5NO2
InChI InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3/i1+1
InChIKey DZVPGIORVGSQMC-OUBTZVSYSA-N
Literature Reference Author A.TIWARI,J.M.RIORDAN,W.R.WAUD,R.F.STRUCK
Literature Reference Citation J.MED.CHEM.,45,1079(2002)
Literature Reference DOI 10.1021/jm010334e
Molecular Weight 326.398 g/mol
Sample ID 52846
Solvent CDCl3