| SpectraBase Spectrum ID |
CXqXWW68hXP |
| Name |
6-(3'-Methylbut-2'-enyl)thymoquinone |
| Alternate Name(s) |
5-Isopropyl-2-methyl-3-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-9(2)6-7-12-11(5)14(16)8-13(10(3)4)15(12)17/h6,8,10H,7H2,1-5H3 |
| InChIKey |
ITNVXDXENACUML-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/cmdc.200800430 |
| Molecular Weight |
232.323 g/mol |
| SMILES |
C1(C(=C(C(=O)C(=C1)C(C)C)CC=C(C)C)C)=O |
| SPLASH |
splash10-0020-1940000000-f39e93fe6dc9795cf969 |
| Source of Spectrum |
CMC-4-767-3f |
| Wiley ID |
1771591 |
