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2-(1-benzimidazolyl)-3-oxo-3-phenylpropanenitrile
SpectraBase Compound ID Dj6C8LDdXe6
InChI InChI=1S/C16H11N3O/c17-10-15(16(20)12-6-2-1-3-7-12)19-11-18-13-8-4-5-9-14(13)19/h1-9,11,15H
InChIKey JBFGABXFFSATHA-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C16H11N3O
Exact Mass 261.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaKP3BJV1Ek
Name 2-(1-benzimidazolyl)-3-oxo-3-phenylpropanenitrile
Alternate Name(s) 2-(benzimidazol-1-yl)-3-keto-3-phenyl-propionitrile 2-(benzimidazol-1-yl)-3-oxidanylidene-3-phenyl-propanenitrile 2-(benzimidazol-1-yl)-3-oxo-3-phenyl-propanenitrile
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Formula C16H11N3O
InChI InChI=1S/C16H11N3O/c17-10-15(16(20)12-6-2-1-3-7-12)19-11-18-13-8-4-5-9-14(13)19/h1-9,11,15H
InChIKey JBFGABXFFSATHA-UHFFFAOYSA-N
Molecular Weight 261.284 g/mol
SMILES C([n]1cnc2c1cccc2)(C(=O)c1ccccc1)C#N
SPLASH splash10-000i-0590000000-53991359753ba0b6b786
Source of Spectrum Y-39-107-12
Wiley ID 1528382