| SpectraBase Spectrum ID |
BZJp4jUFk |
| Name |
Thymoquinone |
| CAS Registry Number |
490-91-5 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| Formula |
C10H12O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Number of Peaks |
124 |
| SMILES |
C=1C(C(C(C)C)=CC(C1C)=O)=O |
| SPLASH |
splash10-01vo-8900000000-3aa0847b2aae790ef069 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002100 |
