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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQ2FOCgqoBX
Name Thymoquinone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 274666
CAS Registry Number 490-91-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Isopropyl-5-methyl-1,4-benzoquinone
Wiley ID SIAL_13CNMR_005031