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4-Methylbenzoylmalononitrile
SpectraBase Compound ID KjEsXOuwGap
InChI InChI=1S/C11H8N2O/c1-8-2-4-9(5-3-8)11(14)10(6-12)7-13/h2-5,10H,1H3
InChIKey BFGUXCOLDRHVOR-UHFFFAOYSA-N
Mol Weight 184.2 g/mol
Molecular Formula C11H8N2O
Exact Mass 184.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1E68z7Ne4PY
Name 4-Methylbenzoylmalononitrile
Alternate Name(s) 2-(4-Methylbenzoyl)malononitrile 2-[(4-methylphenyl)-oxomethyl]propanedinitrile 2-(4-Methylbenzoyl)propanedinitrile 2-(4-Methylphenyl)carbonylpropanedinitrile
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Formula C11H8N2O
InChI InChI=1S/C11H8N2O/c1-8-2-4-9(5-3-8)11(14)10(6-12)7-13/h2-5,10H,1H3
InChIKey BFGUXCOLDRHVOR-UHFFFAOYSA-N
Molecular Weight 184.198 g/mol
SMILES C(C(C#N)C(c1ccc(cc1)C)=O)#N
SPLASH splash10-014l-5900000000-36edf3acc4637529a3f5
Source of Spectrum Y-51-E90-1b
Wiley ID 1742226