Accession NumberHMDB00753
Common_Name3-Hexanone
Description3-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_Namehexan-3-one
Chemical FormulaC6H12O
Sample Concentration1
Mass ValueNot Available
Mass Unitmg
ManufacturerQuattro_QQQ
AnalyzerTriple_Quad
DeliveryFlow_Injection
IonizationPositive
Predicted 1H NMR SpectrumDownload
Predicted 1H NMR PeaklistDownload
Predicted 13C NMR SpectrumDownload
Predicted 13C NMR PeaklistDownload
Sample ConcentrationNot Available
Mass ValueNot Available
Mass UnitNot Available
ManufacturerNot Available
FrequencyNot Available
1H NMR Spectrum
Sample ConcentrationNot Available
Mass ValueNot Available
Mass UnitNot Available
ManufacturerNot Available
FrequencyNot Available
13C NMR SpectrumNot Available
Low Energy Voltage10
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