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4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile

View entire compound with spectra: 3 MS (GC)

4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile
SpectraBase Compound ID B5QGvMDOga4
InChI InChI=1S/C23H20ClNOS/c1-18-12-14-21(15-13-18)27(26)22(24)23(16-17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKey OAMSKAACXALFGR-UHFFFAOYSA-N
Mol Weight 393.93 g/mol
Molecular Formula C23H20ClNOS
Exact Mass 393.095413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZZCBkzIZhR
Name 4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile
Alternate Name(s) 4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butyronitrile isomer 4-Chloro-4-(4-methylphenyl)sulfinyl-3,3-diphenylbutanenitrile 4-Chloranyl-4-(4-methylphenyl)sulfinyl-3,3-diphenyl-butanenitrile 4-Chloro-3,3-diphenyl-4-(p-tolylsulfinyl)butanenitrile
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Formula C23H20ClNOS
InChI InChI=1S/C23H20ClNOS/c1-18-12-14-21(15-13-18)27(26)22(24)23(16-17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKey OAMSKAACXALFGR-UHFFFAOYSA-N
Molecular Weight 393.932 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(c1ccccc1)(c1ccccc1)CC#N)Cl
SPLASH splash10-0f96-0930000000-134539b547de75bae6fd
Source of Spectrum F-56-5118-11
Wiley ID 857701