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2-(N-Methyl-N-tosylamino)-butanenitrile
SpectraBase Compound ID 44Hfy5lXRkY
InChI InChI=1S/C12H16N2O2S/c1-4-11(9-13)14(3)17(15,16)12-7-5-10(2)6-8-12/h5-8,11H,4H2,1-3H3
InChIKey SJSNEVLROPRJCB-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFMiQPHTGSg
Name 2-(N-Methyl-N-tosylamino)-butanenitrile
Alternate Name(s) N-(1-cyanopropyl)-N,4-dimethylbenzenesulfonamide
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Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-4-11(9-13)14(3)17(15,16)12-7-5-10(2)6-8-12/h5-8,11H,4H2,1-3H3
InChIKey SJSNEVLROPRJCB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4015317
Molecular Weight 252.332 g/mol
SMILES C(C(N(C)S(c1ccc(cc1)C)(=O)=O)C#N)C
SPLASH splash10-0a4l-6940000000-8d3011cf50bc9b79ec37
Source of Spectrum A1-15-3452/SMS16-3d
Wiley ID 1748855