| SpectraBase Spectrum ID |
8lWDlrC04Jf |
| Name |
6-(4-Bromobutyl)thymoquinone |
| Alternate Name(s) |
3-(4-bromobutyl)-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19BrO2 |
| InChI |
InChI=1S/C14H19BrO2/c1-9(2)12-8-13(16)10(3)11(14(12)17)6-4-5-7-15/h8-9H,4-7H2,1-3H3 |
| InChIKey |
RHEUBSDPFZTUPA-UHFFFAOYSA-N |
| Molecular Weight |
299.208 g/mol |
| SMILES |
C(CCCC1=C(C(C=C(C1=O)C(C)C)=O)C)Br |
| SPLASH |
splash10-0fbs-0990000000-b8a9850edf362fc21bb8 |
| Source of Spectrum |
CBC-12-1239-5 |
| Wiley ID |
1786727 |
