with 1,2- Correction
with spectrum
with 1,2- Correction
without 1,2- Correction
with spectrum
without 1,2- Correction
Benzenes Benzenes Benzenes Benzenes
Pyridines Pyridines Pyridines Pyridines
Pyridazines Pyridazines Pyridazines Pyridazines
Pyrimidines Pyrimidines Pyrimidines Pyrimidines
Pyrazines Pyrazines Pyrazines Pyrazines
Biphenyles Biphenyles Biphenyles Biphenyles
2,2'- Bipyridyles 2,2-'Bipyridyles 2,2'- Bipyridyles 2,2'-Bipyridyles
4,4'- Bipyridyles 4,4'Bipyridyles 4,4'- Bipyridyles 4,4'Bipyridyles

available Substituents

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available Substituents

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  1. This service is free for all!
  2. If you use results from this programs, please give us credits in the resulting publications. You can quote one or more of our publications about this increment calculation system (see below).
  3. Feedback is needed. Please send us comments, suggestions,questions, problems and errors.


1. Computer Application of an Incremental System for Calculating the 13 C NMR Spectra of Aromatic Compounds -
2.St. Thomas, I. Brühl, D. Heilmann, E. Kleinpeter
13C NMR Chemical Shift Calculation for some substituted Pyridines: A Comperative Consideration
J. Chem. Inf. Comp. Sci. 37, 726, 1997
The additional material for this paper:
  1. Monosubstituted Pyridines
  2. Disubstituted Pyridines
  3. Trisubstituted Pyridines