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4-(1-Methyl-2-oxo-ethyl)benzonitrile
SpectraBase Compound ID 4dm6IobI1cL
InChI InChI=1S/C10H9NO/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,7-8H,1H3
InChIKey ZLWLUIBYEXRWKG-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HCGs7wvXxq
Name 4-(1-Methyl-2-oxo-ethyl)benzonitrile
Alternate Name(s) 4-(1-oxidanylidenepropan-2-yl)benzenecarbonitrile 4-(1-oxopropan-2-yl)benzonitrile 4-(2-keto-1-methyl-ethyl)benzonitrile
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Formula C10H9NO
InChI InChI=1S/C10H9NO/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,7-8H,1H3
InChIKey ZLWLUIBYEXRWKG-UHFFFAOYSA-N
Molecular Weight 159.188 g/mol
SMILES C(#N)c1ccc(cc1)C(C=O)C
SPLASH splash10-001i-0900000000-dc71429b7f92493a949f
Source of Spectrum K1-2007-276-3
Wiley ID 1639052