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Thymoquinone

View entire compound with spectra: 14 NMR, 7 FTIR, 1 Raman, and 9 MS (GC)

Thymoquinone
SpectraBase Compound ID 2XpznCVHyYW
InChI InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IvSs91a48L
Name THYMOQUINONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N
Literature Reference Author N.NAKATANI,K.MIURA,T.INAGAKI
Literature Reference Citation AGR.BIOL.CHEM.,53,1375(1989)
Literature Reference DOI 10.1271/bbb1961.53.1375
Molecular Weight 164.204 g/mol
Solvent CDCl3
Source File Reference UWIR7702