RefMet Compound Details

MW structure54920 (View MW Metabolite Database details)
RefMet name1-Nitronaphthalene
Systematic name1-nitronaphthalene
SMILES[O-][N+](=O)c1cccc2ccccc21
Exact mass173.047679 (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
FormulaC10H7NO2View other entries in RefMet with this formula
InChIInChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyRJKGJBPXVHTNJL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassNaphthalenes
Sub ClassNitronaphthalenes
Pubchem CID6849
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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