RefMet Compound Details

MW structure46273 (View MW Metabolite Database details)
RefMet nameAcetophenone
Systematic name1-phenylethan-1-one
SMILESCC(=O)c1ccccc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass120.057515 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H8OView other entries in RefMet with this formula
InChIKeyKWOLFJPFCHCOCG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassAcetophenones
Sub ClassAcetophenones
Pubchem CID7410
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)