MOLECULAR PUZZLE
For research work, it is always
necessary to identify molecules, and one way to do this is by using spectra.
There is a database of spectra where you can actually find any known
molecule.
I used this site as I need it, but I certainly use it every semester. I used a lot for my organic chemistry 3 course, it's great to have access to this kind of stuff and if you are taking your third organic chemistry, this site will help you a lot. it's the best!!!
The Spectral Database for Organic
Compounds (SDBS) is a free online searchable database hosted by the National
Institute of Advanced Industrial Science and Technology (AIST) in Japan, that
contains spectral data for ca 34,000 organic molecules. The database is
available in English and in Japanese and it includes six types of spectra:
laser Raman spectra, electron ionization mass spectra (EI-MS),
Fourier-transform infrared (FT-IR) spectra, 1H nuclear magnetic resonance
(1H-NMR) spectra, 13C nuclear magnetic resonance (13C-NMR) spectra and electron
paramagnetic resonance (EPR) spectra.
The database can be searched by
entering one or more of the following parameters: chemical name, molecular
formula, number of different types of atoms present in the molecule, molecular
weight, CAS Registry Number or SDBS number. the result of the search includes
all the available spectra for the search parameters entered.
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics.
The acetylsalicylic acid commonly
used for headaches when you take aspirin, is the molecule below with its 13C
nuclear magnetic resonance. Here we can see its signals, each molecule has its
own spectrum and that is amazing.
this is a good fact to study organized! I hope to use it in time, thank you!
ResponderBorrar