| SpectraBase Spectrum ID |
94iPXNX6aL4 |
| Name |
6-(4-Aminobutyl)thymoquinone |
| Alternate Name(s) |
3-(4-aminobutyl)-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H21NO2 |
| InChI |
InChI=1S/C14H21NO2/c1-9(2)12-8-13(16)10(3)11(14(12)17)6-4-5-7-15/h8-9H,4-7,15H2,1-3H3 |
| InChIKey |
XEGGDOQNLGWTQZ-UHFFFAOYSA-N |
| Molecular Weight |
235.327 g/mol |
| SMILES |
NCCCCC1=C(C(C=C(C1=O)C(C)C)=O)C |
| SPLASH |
splash10-0f9l-5890000000-d08efe7ae33e30720f51 |
| Source of Spectrum |
CBC-12-1240-6 |
| Wiley ID |
1786728 |
