Question
Asked 3 February 2013
Does anyone know a good and free online database of IR spectra?
I need to assign some FT-IR spectra of my compounds (small organic) in terms of their vibration modes. I have a couple of books but I'd like to also have a look at online resources as well.
Most recent answer
Free FTIR databases:
- NIST Chemistry WebBook
- SDBS (Spectral Database for Organic Compounds)
- Sigma-Aldrich IR Spectra Library
- Spectral Database for Inorganic Compounds (SDBS)
- Organic Compounds Database (ThermoFisher Scientific)
- AIST Spectral Database for Organic Compounds (SDBS)
Ref:
Popular answers (1)
University of Strathclyde
There's a list of some spectral databases at
I think some of them are free, if I remember correctly.
Also, you might already have an account, but UK academics can sign up for a free account at the Chemical Database Service of Daresbury laboratory. I haven't used it for IR spectra (I mostly used it for XRD analysis), but I know there are a couple of IR spectra apps available.
13 Recommendations
All Answers (40)
University of Strathclyde
There's a list of some spectral databases at
I think some of them are free, if I remember correctly.
Also, you might already have an account, but UK academics can sign up for a free account at the Chemical Database Service of Daresbury laboratory. I haven't used it for IR spectra (I mostly used it for XRD analysis), but I know there are a couple of IR spectra apps available.
13 Recommendations
Leibniz Institute for Plasma Science and Technology
You can find a lot of IR spectra at http://www.ansyco.de/CMS/frontend/index.php?idcatside=124. NIST also provides some data.
Good Luck
3 Recommendations
SOLEIL synchrotron, French National Centre for Scientific Research
You will find some resources here: http://midir.lightsource.ca/beamline/links Including links to spectral databases.
2 Recommendations
Institute of Physical Chemistry, Polish Academy of Sciences
This database is very good: http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi
Apart from IR contains also Raman, NMR and MS spectra of many chemicals
and of course reliable NIST standards database:
3 Recommendations
VSL - National Metrology Institute
almost free: PNNL database: https://secure2.pnl.gov/nsd/nsd.nsf/Welcome
1 Recommendation
University of Northampton
You may find this database useful: National Institute of Standard and Technology (NIST); it is compound based but may be helpful
Brandenburg University of Technology Cottbus - Senftenberg
You can search for compounds here: http://webbook.nist.gov/chemistry/ It will give you not only IR, but also MS, UVVIS and much more. If someone looks for minerals this is my favorite: http://rruff.info/ (mostly Raman but sometimes FTIR)
Alborz University of Medical Sciences
Dear Prof. Pedro Molina
Hello and I hope every thing is fine with you. I have the same problem as you. Do you can email your book concerning FTIR spectra? Really I can not access to related book.
2 Recommendations
University of Tabriz
Dear all
I am looking for infrared molar absorptivity coefficients of the following compounds:
succinimide, maleimide, glutarimide, caprolactam, 2-Pyrrolidinone, Anthracene, Indole.
Does anyone know any websites or book for this kind of data.
Kindly please help me.
Thank you
1 Recommendation
Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya
Dear IIona,
You can refer the Socrates book as a reference to get all types of inorganic frequencies in the IR and Raman regions.
1 Recommendation
Mohammed VI Polytechnic University
SDBS is a strong spectral database system for organic compounds
3 Recommendations
Gasmet
We added peak search an some additional features to our FTIR-library java web start app on our web page. The library has >> 500 IR spectra of orcanic and inorganic components in gas phase. Component search works with English and German names as well as with CAS numbers. Have a look: http://ansyco.de/tools/ftir-spectrum-library
1 Recommendation
University of Warwick Alumni & Friends
I recommend www.SpectraBase.com
Register on site. It only takes a few seconds.
Type in the name of the compound you interested.
You end up with many options and spectra taken under various conditions.
Choose FTIR, eg transmission and click on the spectra. You end up with an enlarged interactive version.
If you have a university /company email then you can download KnowItAll for a short period and conduct spectra search etc.
Let me know if you have any issues.
Regards, Houtan
2 Recommendations
Interuniversity Laboratory of Atmospheric Systems, French National Centre for Scientific Research
Looking for high quality gas phase infrared spectra for atmospheric monitoring or for other purpose ?
Check out the EUROCHAMP-2020 database ! Spectra of hundreds of gaseous species are freely searchable and downloadable.
1 Recommendation
National Technical University of Athens
Dear Sirs/Madams,
Does anyone knows where can I find the IR spectrum of 2,2',2''-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol?
Colorado School of Mines
Does anyone know where can I find the IR spectrum of (E)-11-(4-(phenyldiazenyl)phenoxy)undecane-1-thiol?
Spectroscopy Ninja
Some free databases (mostly FTIR and Raman) made ready-to-use with Spectragryph software for download from here: https://www.effemm2.de/spectragryph/down_databases.html
2 Recommendations
UniTechLink Inc.
You can use this website.
The service for FTIR analysis is not free but it's very affordable, especially for students.
2 Recommendations
National Institute of Research and Development for Optoelectronics - INOE 2000
https://infraart.inoe.ro/ - Open Access Spectral Library of Art-Related Materials
Auburn University
I think the best approach would be to compare the peaks in your spectrum with those reported in closely related research articles. This might be faster for finding the right type functional group that you are trying to detect, since IR is typically used for a variety of applications.
1 Recommendation
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