Thymoquinone

2D Structure
MF: C10H12O2
MW: 164.2 g/mol
IUPAC Name: 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Calculated IR and Raman Spectra of Thymoquinone Calculated IR and Raman Spectra of Thymoquinone Calculated IR and Raman Spectra of Thymoquinone Calculated IR and Raman Spectra of Thymoquinone Calculated IR and Raman Spectra of Thymoquinone Calculated IR and Raman Spectra of Thymoquinone

Calculation


Reference

[1] Alex A. Granovsky, Firefly version 8, www http://classic.chem.msu.su/gran/firefly/index.html
[2] M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.Su, T.L.Windus, M.Dupuis, J.A.Montgomery J.Comput.Chem. 14, 1347-1363 (1993)
[3] H.Yoshida, K.Takeda, J.Okayama, A.Ehara and H.Matsuura, J. Phys. Chem. A 106, 3580 (2002)
[4] National Center for Biotechnology Information. PubChem Compound Summary for CID 10281, Thymoquinone. https://pubchem.ncbi.nlm.nih.gov/compound/Thymoquinone. Accessed Apr. 18, 2022.