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p-Cyanobenzyl n-butyl sulfone
SpectraBase Compound ID DgsMpJAIFY9
InChI InChI=1S/C12H15NO2S/c1-2-3-8-16(14,15)10-12-6-4-11(9-13)5-7-12/h4-7H,2-3,8,10H2,1H3
InChIKey OHOLMUFHGIQCMT-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuYGKzdNEig
Name p-Cyanobenzyl n-butyl sulfone
Alternate Name(s) 4-[(Butylsulfonyl)methyl]benzonitrile 4-(Butylsulfonylmethyl)benzenecarbonitrile
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Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-2-3-8-16(14,15)10-12-6-4-11(9-13)5-7-12/h4-7H,2-3,8,10H2,1H3
InChIKey OHOLMUFHGIQCMT-UHFFFAOYSA-N
Molecular Weight 237.317 g/mol
SMILES C(S(=O)(=O)Cc1ccc(cc1)C#N)CCC
SPLASH splash10-014i-0900000000-fc421ed7ce7f028876fd
Source of Spectrum QC-8-694-4
Wiley ID 869855