Does anyone know a free online UV-Visible spectra database where someone can compare and verify their experimental spectra with? I am dealing with organic compounds (e.g. phenolics).
Sir Brietzke: I am already a user of that database and I use it to verify experimental IR spectra. I don't think they have available UV-Vis spectra in their database.
Sir Doussin: Condensed phase please
The US government shutdown doesn't only affect American researchers, but also those based anywhere else. I have difficulties accessing US government hosted databases which are important to my research. Examples are, of course, NIST spectra database, and the phytochemical and ethnobotanical database at http://www.ars-grin.gov/duke/
This is a wonderful database that you can access for free:
http://www.science-softcon.de/
Recently the 10th version of the database has been released.
Bio-Rad's SpectraBase (https://spectrabase.com) has over 30,000 UV-Vis spectra available. SpectraBase is free, and you can look up the spectra of compounds by name, CAS Registry Number, or InChIKey. You can overlay your own spectrum with the reference spectra available on SpectraBase, zoom in, etc. If you want to use the spectrum in a publication or presentation, we have a "Cite" button that will tell you the preferred method for citing SpectraBase.
If you need to identify unknown spectra, you can do a free two-week trial of Bio-Rad's KnowItAll software and databases: http://www.knowitall.com/trial2018
Finally, there is a free Academic Edition of our KnowItAll software available as well: http://www.knowitall.com/academic
Best regards,
Greg
Gregory
The spectrabase has very few UV spectra: the basic PAHs are missing for instance
The one I first checked by random has 2 errors
9-Anthraldehyde:
There is an absorption from 400-500 nm that is not in spectrabase
The absorption is in unit-less absorbance instead of absorption coefficient
Dear Harry:
Thank you very much for your comments. While Bio-Rad 's Sadtler collection of UV-Vis spectra is the world's largest, it is clearly not a comprehensive collection given that it has only 30,000 spectra.
With regard to the spectrum of 9-Anthraldehyde, there may very well be a peak between 400 to 500 nm, however the spectrum measured appeared in a collection of spectra run from 200 to 350 nm, hence missing peak above 350 nm.
As far as the extinction coefficient, it is available in our KnowItAll version of this database. I urge you register for a two-week trial of KnowItAll with all the databases (be forewarned that while you will initially be able to search and view databases hosted on our server, all of the databases will be downloaded in the background, and they take up a lot of space). Once you have registered for the trial, you be sent an email on how to download, install, and activate the KnowItAll software and databases. You can then do the following:
If you have any difficulties, please do not hesitate to reach out to me.
Best regards,
Greg
I am not eligible cannot register, because as a retiree I have a public mail-address
Les composés phénoliques des végétaux: un exemple de métabolites secondaires ...
By Jean-Jacques Macheix, Annie Fleuriet,
Thank you for your suggestions. How can I find the UV-vis spectra of 4-Nitrophenyl-.beta.-phenylpropionate ( C15H13NO4 ) ; 1,2,3-Oxadiazol-3-ium ; 3-Phenylpropionic acid 4-cyanophenyl ester ( C18H17N3O ) and 5-Oxazolidinone, 3-benzoyl-2-(1,1-dimethylethyl)-4-(1-methylethyl)-4-(phenylmethyl)-. (2R-cis)? Thanks in advance.
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