| SpectraBase Spectrum ID |
HXfqdPbv1XQ |
| Name |
Thymoquinone |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
15039 |
| Lot Number |
0476715-8 |
| CAS Registry Number |
490-91-5 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H12O2 |
| IUPAC Name |
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione |
| 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
550 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
C1(\C=C/(C(\C=C/1C)=O)C(C)C)=O |
| Scans Performed |
3136 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
NSC 2228 |
| Technique |
FT-Raman |
