Question
Asked 3rd Feb, 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

4th Dec, 2022
Vivek Patil
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

Popular answers (1)

4th Feb, 2013
Ross Birney
Northumbria Optical Coatings
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 (39)

4th Feb, 2013
Ross Birney
Northumbria Optical Coatings
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
4th Feb, 2013
Michael Schmidt
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
19th Feb, 2013
Ferenc Borondics
SOLEIL synchrotron
You will find some resources here: http://midir.lightsource.ca/beamline/links Including links to spectral databases.
2 Recommendations
13th Mar, 2013
Marcin. Pastorczak
Institute of Physical Chemistry, Polish Academy of Sciences
Apart from IR contains also Raman, NMR and MS spectra of many chemicals
and of course reliable NIST standards database:
3 Recommendations
30th Jul, 2013
Stefan Persijn
VSL - Dutch Metrology Institute
8th Sep, 2013
Ali Poursamar
The University of Northampton
You may find this database useful: National Institute of Standard and Technology (NIST); it is compound based but may be helpful
9th Sep, 2013
Thomas Fischer
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)
22nd Oct, 2013
Elena Yu. Ladilina
Russian Academy of Sciences
9th Jan, 2014
Ilona Jastrzębska
AGH University of Science and Technology in Kraków
Does anyone know some database of inorganic substances?
2 Recommendations
10th Jan, 2014
Dayana Agudelo-Castañeda
Universidad del Norte (Colombia)
Ilona, maybe in the spectral library of the USGS...
1 Recommendation
11th Jan, 2014
Blenson Paul
Technische Universität Dresden
10th Oct, 2014
Sabrina Lee
Liverpool Community College
18th Oct, 2014
Gunderao Kathwate
Savitribai Phule Pune University
19th Oct, 2014
Olivia Gómez Laserna
Universidad del País Vasco / Euskal Herriko Unibertsitatea
9th Dec, 2014
Mansur Zarrabi
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
20th Dec, 2014
Javad Frounchi
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
28th Feb, 2015
Venkatesan Ragavendran
Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya University
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
20th Nov, 2015
Mohamed Aqil
Mohammed VI Polytechnic University
SDBS is a strong spectral database system for organic compounds
3 Recommendations
28th Jun, 2016
Aappo Roos
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
1st May, 2018
Houtan Sadeghi-Jorabchi
University of Warwick Alumni & Friends
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
10th Jul, 2018
Jean-Francois Doussin
Interuniversity Laboratory of Atmospheric Systems
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
14th Jun, 2019
Zhanna Boeva
Åbo Akademi University
19th May, 2020
Thanasis Mpouras
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?
3rd Jul, 2020
Abelouah Mohamed Rida
University Ibn Zohr - Agadir
I recommend this database :
2 Recommendations
31st Jul, 2020
Anish Dhungana
Colorado School of Mines
Does anyone know where can I find the IR spectrum of (E)-11-(4-(phenyldiazenyl)phenoxy)undecane-1-thiol?
23rd May, 2021
Gunderao Kathwate
Savitribai Phule Pune University
Thank you Sara Shamsi
21st Jun, 2021
Kofi Jr Prempeh
Uppsala University
Thank you
Sara Shamsi
.
21st Jul, 2021
Yassir Al jawaheri
University of Mosul
9th Dec, 2021
Friedrich Menges
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
23rd Apr, 2022
Ali Sonas
University of Uyo
8th Nov, 2022
Ioana Maria Cortea
National Institute for Research and Development in Optoelectronics
https://infraart.inoe.ro/ - Open Access Spectral Library of Art-Related Materials
4th Dec, 2022
Vivek Patil
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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