ACD/HNMR DB: Database Statistics 


 
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ACD/HNMR DB

Database Statistics, Page 2

  1. Aromatic Hydrocarbons
  2. N-containing AromaticHydrocarbons
  3. O-containing Aromatic Hydrocarbons
  4. S-containing Aromatic Hydrocarbons
  5. Saturated Cyclic
  6. Unsaturated Cyclic
  7. Saturated Hetrocyclic
  8. With Functional Groups
  9. Alkenes
  10. Organoelement Compounds

 
 
 
 
 
 
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Class of Compounds Structures Exp. deltaH Exp. JH
N-containing Aromatic Hydrocarbons

Pyridines

9,367 66,541 22,666
2-Monosubstituted pyridines

901 7,176 3,807
3-Monosubstituted pyridines

356 3,217 1,293
4-Monosubstituted pyridines

381 2,277 782
2,6-Disubstituted pyridines

323 3,425 855
3,5-Disubstituted pyridines

56 297 94

Quinolines

1,519 11,884 3,959

Isoquinolines

437 3,513 1,142

Acridines

172 1,318 426

Pyrroles

3,520 27,692 6,628

N-Monosubstituted pyrroles

178 1,134 220
2-Monosubstituted pyrroles

139 1,093 308
3-Monosubstituted pyrroles

16 89 57
2,5-Disubstituted pyrroles

155 1,773 365
3,4-Disubstituted pyrroles

9

38

11

Indoles

4,417 43,298 13,735

Carbazoles

384 3,455 1,116

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