The following codes are used for NMR data files at the Widener FTP site



  1. Files have code that identifies the experiment. Each code is seperated by an underscore _
    1. First two characters are letters to identify the compound
      1. ib isobutanol (2-methyl-1-propanol)
      2. pa pamoic acid
      3. ba benzoyl acetone
      4. ea ethanal
      5. ec ethyl-trans cinnamate
      6. va valeraldehyde
      7. mp 4-methyl-2-pentanone
      8. pi pinacolone
      9. 3p 3-pentanone
      10. 2p 2-pentanone
      11. pt p-tolualdehyde
      12. cp cyclopentanone
      13. 2h 2-hexanone

    2. The next two characters identify the experiment
      1. 01 Proton NMR
      2. 02 C-13 NMR
      3. 03 C-13 coupling and decoupling experiment
      4. 04 DEPT
      5. 05 T1 inversion recovery for H-1
      6. 06 T1 inversion recovery for C-13
      7. 07 COSY
      8. 08 NOESY
      9. 09 HETCOR
      10. 10 APT (Attached Proton Test)
      11. 11 H-1 Homonuclear decoupling


    3. The last two characters identify the file or specify the experiment.
      1. For DEPT experiments
        1. 01 Regular C-13
        2. 02 DEPT-45
        3. 03 DEPT-90
        4. 04 DEPT-135


    4. The file extension indicates the file type
      1. *.fid Nuts format FID
      2. *.spc Nuts format spectrum
      3. *.2d Nuts 2D data file
      4. *.dat GE 2D data file
      5. *.gif GIF format spectrum
      6. *.rpl Replica format spectrum
      7. *.### numbers for sequential FID with experiments like T1 Inversion recovery.