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4-(4-Acetylphenyl)butanenitrile
SpectraBase Compound ID HqQx9MT1SWw
InChI InChI=1S/C12H13NO/c1-10(14)12-7-5-11(6-8-12)4-2-3-9-13/h5-8H,2-4H2,1H3
InChIKey DGHOINAQCXPHMD-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GORjOrUsUIn
Name 4-(4-Acetylphenyl)butanenitrile
Alternate Name(s) 4-(4-Acetylphenyl)butyronitrile 4-(4-Ethanoylphenyl)butanenitrile
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Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-10(14)12-7-5-11(6-8-12)4-2-3-9-13/h5-8H,2-4H2,1H3
InChIKey DGHOINAQCXPHMD-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES C(CCCc1ccc(cc1)C(=O)C)#N
SPLASH splash10-00di-0900000000-b05abd18ef61be627c6b
Source of Spectrum AJ-70-443-8
Wiley ID 774009