| SpectraBase Spectrum ID |
GXG727QxCKG |
| Name |
Thymoquinone |
| CAS Registry Number |
490-91-5 |
| Classification |
Pharmaceutical drug, anti-epileptic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
891 |
| Retention Index |
1191 |
| SMILES |
C=1(C(C=C(C(C1)=O)C)=O)C(C)C |
| SPLASH |
splash10-01vx-9500000000-56629028a475a6bb9496 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032027 |
