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2-tert-Butylphenyl(phenylsulfonyl)acetanitrile
SpectraBase Compound ID DgJRN79ADrJ
InChI InChI=1S/C18H19NO2S/c1-18(2,3)15-11-9-14(10-12-15)17(13-19)22(20,21)16-7-5-4-6-8-16/h4-12,17H,1-3H3
InChIKey CGJAXXLBZLVWJM-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C18H19NO2S
Exact Mass 313.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Bm8z2JQvNj
Name 2-tert-Butylphenyl(phenylsulfonyl)acetanitrile
Alternate Name(s) (2-tert-butylphenyl)(phenylsulfonyl)acetonitrile 4-tert-Butylphenyl(phenylsulfonyl)acetonitrile 2-(benzenesulfonyl)-2-(4-tert-butylphenyl)acetonitrile 2-(4-tert-butylphenyl)-2-(phenylsulfonyl)ethanenitrile
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Formula C18H19NO2S
InChI InChI=1S/C18H19NO2S/c1-18(2,3)15-11-9-14(10-12-15)17(13-19)22(20,21)16-7-5-4-6-8-16/h4-12,17H,1-3H3
InChIKey CGJAXXLBZLVWJM-UHFFFAOYSA-N
Molecular Weight 313.415 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C#N)c1ccc(C(C)(C)C)cc1
SPLASH splash10-00b9-4900000000-c6b1ab241215593cc930
Source of Spectrum KC-0-1477-64
Wiley ID 788194