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2-(benzenesulfonyl)-2-(2-isopropylphenyl)acetonitrile
SpectraBase Compound ID LxhbYIJCUhl
InChI InChI=1S/C17H17NO2S/c1-13(2)15-10-6-7-11-16(15)17(12-18)21(19,20)14-8-4-3-5-9-14/h3-11,13,17H,1-2H3
InChIKey PCUQTCQSNKQWOY-UHFFFAOYSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EF0I5z1zRfT
Name 2-(benzenesulfonyl)-2-(2-isopropylphenyl)acetonitrile
Alternate Name(s) 2-(benzenesulfonyl)-2-(2-propan-2-ylphenyl)acetonitrile 2-(Phenylsulfonyl)-2-(2-propan-2-ylphenyl)ethanenitrile 2-besyl-2-o-cumenyl-acetonitrile
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Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-13(2)15-10-6-7-11-16(15)17(12-18)21(19,20)14-8-4-3-5-9-14/h3-11,13,17H,1-2H3
InChIKey PCUQTCQSNKQWOY-UHFFFAOYSA-N
Molecular Weight 299.388 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(c1c(C(C)C)cccc1)C#N
SPLASH splash10-0a4i-3900000000-a69cf9083af286ac5932
Source of Spectrum KC-0-1477-63
Wiley ID 788195