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3-(3-ketoquinuclidin-2-yl)-2,3-diphenyl-propionitrile
SpectraBase Compound ID D4bvZB7bbK2
InChI InChI=1S/C22H22N2O/c23-15-19(16-7-3-1-4-8-16)20(17-9-5-2-6-10-17)21-22(25)18-11-13-24(21)14-12-18/h1-10,18-21H,11-14H2
InChIKey DWVIPFPQDDOZFI-UHFFFAOYSA-N
Mol Weight 330.43 g/mol
Molecular Formula C22H22N2O
Exact Mass 330.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGbnDNXbJ4h
Name 3-(3-ketoquinuclidin-2-yl)-2,3-diphenyl-propionitrile
Alternate Name(s) 3-(3-oxidanylidene-1-azabicyclo[2.2.2]octan-2-yl)-2,3-diphenyl-propanenitrile 3-(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)-2,3-diphenylpropanenitrile 3-(3-oxoquinuclidin-2-yl)-2,3-diphenyl-propanenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C22H22N2O
InChI InChI=1S/C22H22N2O/c23-15-19(16-7-3-1-4-8-16)20(17-9-5-2-6-10-17)21-22(25)18-11-13-24(21)14-12-18/h1-10,18-21H,11-14H2
InChIKey DWVIPFPQDDOZFI-UHFFFAOYSA-N
Molecular Weight 330.431 g/mol
SMILES C1(C(C(C#N)c2ccccc2)c2ccccc2)C(C2CCN1CC2)=O
SPLASH splash10-0f79-0906000000-e825a5fdd7347696e677
Source of Spectrum KC-0-471-12
Wiley ID 783078