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2-(2,4-dimethylphenyl)-2-(phenylsulfonyl)ethanenitrile
SpectraBase Compound ID Hyb2q7RhwGd
InChI InChI=1S/C16H15NO2S/c1-12-8-9-15(13(2)10-12)16(11-17)20(18,19)14-6-4-3-5-7-14/h3-10,16H,1-2H3
InChIKey IWHRIDCLPSSKLL-UHFFFAOYSA-N
Mol Weight 285.36 g/mol
Molecular Formula C16H15NO2S
Exact Mass 285.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCyuJSIjKoQ
Name 2-(2,4-dimethylphenyl)-2-(phenylsulfonyl)ethanenitrile
Alternate Name(s) 2-(benzenesulfonyl)-2-(2,4-dimethylphenyl)acetonitrile 2-besyl-2-(2,4-dimethylphenyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO2S
InChI InChI=1S/C16H15NO2S/c1-12-8-9-15(13(2)10-12)16(11-17)20(18,19)14-6-4-3-5-7-14/h3-10,16H,1-2H3
InChIKey IWHRIDCLPSSKLL-UHFFFAOYSA-N
Molecular Weight 285.361 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(c1c(cc(cc1)C)C)C#N
SPLASH splash10-0006-1900000000-e241b8af159b65c6fc40
Source of Spectrum KC-0-1477-68
Wiley ID 788190