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2-(4-Methylphenyl)-2-(phenylsulfonyl)ethanenitrile
SpectraBase Compound ID Jmnxd0v8xop
InChI InChI=1S/C15H13NO2S/c1-12-7-9-13(10-8-12)15(11-16)19(17,18)14-5-3-2-4-6-14/h2-10,15H,1H3
InChIKey QESOOOSNLBNCEQ-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C15H13NO2S
Exact Mass 271.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gx6lzZ3NtQO
Name 2-(4-Methylphenyl)-2-(phenylsulfonyl)ethanenitrile
Alternate Name(s) 2-(benzenesulfonyl)-2-(4-methylphenyl)acetonitrile 2-(benzenesulfonyl)-2-(p-tolyl)acetonitrile 2-besyl-2-(p-tolyl)acetonitrile
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Formula C15H13NO2S
InChI InChI=1S/C15H13NO2S/c1-12-7-9-13(10-8-12)15(11-16)19(17,18)14-5-3-2-4-6-14/h2-10,15H,1H3
InChIKey QESOOOSNLBNCEQ-UHFFFAOYSA-N
Molecular Weight 271.334 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C#N)c1ccc(cc1)C
SPLASH splash10-0fc0-7920000000-353759322ba0dab30b05
Source of Spectrum KC-1993-297-6
Wiley ID 778800