Accession Number | HMDB00753 |
Common_Name | 3-Hexanone |
Description | 3-Hexanone is a volatile constituent of urine. (PMID: 5556886) Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group. It is a colorless, oily liquid with an acetone-like smell. Cyclohexanone is slightly soluble in water (5-10 g/100 ml), but miscible with the most common organic solvents. An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it. |
Chemical_IUPAC_Name | hexan-3-one |
Chemical Formula | C6H12O |
Sample Concentration | 1 |
Mass Value | Not Available |
Mass Unit | mg |
Manufacturer | Quattro_QQQ |
Analyzer | Triple_Quad |
Delivery | Flow_Injection |
Ionization | Positive |
Predicted 1H NMR Spectrum | Download |
Predicted 1H NMR Peaklist | Download |
Predicted 13C NMR Spectrum | Download |
Predicted 13C NMR Peaklist | Download |
Sample Concentration | Not Available |
Mass Value | Not Available |
Mass Unit | Not Available |
Manufacturer | Not Available |
Frequency | Not Available |
1H NMR Spectrum | ![]() |
Sample Concentration | Not Available |
Mass Value | Not Available |
Mass Unit | Not Available |
Manufacturer | Not Available |
Frequency | Not Available |
13C NMR Spectrum | Not Available |
Low Energy Voltage | 10 |
Low Energy Spectrum | Download |
Low Energy Peaklist | Download |
Medium Energy Spectrum | Download |
High Energy Spectrum | Download |