The Jcamp database allows to store a chemical structure with all the associate spectra (NMR 1H, NMR 13C coupled and decoupled, IR, mass and raman).
The purpose of this database is currently mainly academic :
|
teach students to assign spectra of known structure |
|
|
teach students to guess to structure of unknown products based on the spectra |
|
|
maintain a database of spectra |
For instance you can directly export from UXNMR (from Bruker NMR spectrometer) using the command "tojdx". After you should select the "real/imaginary" format.
Example of a "live" spectrum :
|
Click here to see the full version of Jcamp. |
All the spectra remain "live". It is not a picture that is shown but the spectra is presented in an applet that we have developed (Nemo). In this applet ( it is still possible to zoom in, make peak picking, ... The format used to store the "live" spectra is "Jcamp". This format is widely accessible and presented in details on http://www.jcamp.org/.