ACD/HNMR DB: Database Statistics 


 
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ACD/HNMR DB

Database Statistics, Page 4

  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

Saturated heterocyclics

Piperidines (in all)

6,401 62,313 21,849
Tetrahydropyrans (in all)

13,271 173,216 80,946
Pyranoses

6,916 99,098 47,218
Other six-membered saturated heterocyclic with one heteroatom 478 3,128 1,283
Tetrahydrofurans (in all)

13,897 153,600 61,548
Furanoses

3,027 38,320 17,014
Pyrrolidines

6,984 70,644 25,768
Other five-membered saturated heterocyclic with one heteroatom 674 4,535 1,708
Oxiranes (epoxides)

3,338 38,539 15,194
Aziridines

946 6,051 1,749
Other three-membered saturated heterocyclic with one heteroatom 77 370 112
Four-membered saturated heterocyclic with one heteroatom 2,128 17,667 6,406
Lactones (in all) 10,160 113,744 47,684
Lactams (in all) 16,487 139,867 46,365
Steroids 4,096 58,375 17,238

With functional groups

TOP
Aldehydes 4,541 37,527 11,807
Ketones (in all) 28,947 253,986 85,089
Cyclic ketones (including quinones, chromones, etc.) 17,560 170,532 60,256
Carboxylic acids 6,323 54,846 17,392
Esters 49,109 472,835 177,395
Amides 27,989 239,359 79,244
Ureas 6,089 55,655 18,493
Nitriles 6,885 40,748 12,868
Isonitriles 40 456 209
Alcohols (in all) 40,140 423,115 157,489
Phenols and naphthols 8,353 85,303 28,419
Ethers (in all) 65,034 617,013 229,814
Thiocarbonyl compounds (in all) 2,708 16,822 4,887
Thioketones 167 893 284
Thioamides 684 4,016 936
Thioureas 815 5,380 1,337
Thiols 408 2,318 657
Sulfides 16,687 109,562 33,233
Sulfoxides 1,245 8,893 3,324
Sulfones 2,332 16,607 4,981
Sulfonic compounds 2,156 20,980 7,429
Amines (in all) 45,365 333,520 99,227
Aromatic amines 16,144 110,747 29,438
Azo-compounds 1,330 10,826 4,943
C-Nitro compounds 7,585 46,535 13,874
O-Nitro compounds 133 777 166
N-Nitro compounds 142 599 129
C-Nitroso compounds 65 276 61
O-Nitroso compounds 5 23 3
N-Nitroso compounds 183 743 234
Allenes 666 4,713 2,023

Alkenes

49,548 501,556 187,695
Alkynes 4,379 30,665 10,523
Monosubstituted ethylenes 6,493 63,006 31,136
1,1-Disubstituted ethylenes 5,597 62,472 22,310
1,2-Disubstituted ethylenes 19,431 184,120 73,956
1,1,2-Trisubstituted ethylenes 13,776 126,995 39,350
Tetrasubstituted ethylenes 4,251 34,298 10,420

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This page was last updated 23 January 2007
 

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