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1-(4-Toluenesulfonyl)-piperidine-4-carbonitrile
SpectraBase Compound ID 4gx9juxH7n9
InChI InChI=1S/C13H16N2O2S/c1-11-2-4-13(5-3-11)18(16,17)15-8-6-12(10-14)7-9-15/h2-5,12H,6-9H2,1H3
InChIKey LWQUEVXVFVFIMN-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57ZKykLjXzx
Name 1-(4-Toluenesulfonyl)-piperidine-4-carbonitrile
Alternate Name(s) 1-Tosylpiperidine-4-carbonitrile 1-(4-Methylphenyl)sulfonyl-4-piperidinecarbonitrile 1-(p-tolylsulfonyl)piperidine-4-carbonitrile 1-(4-Methylphenyl)sulfonylpiperidine-4-carbonitrile
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Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c1-11-2-4-13(5-3-11)18(16,17)15-8-6-12(10-14)7-9-15/h2-5,12H,6-9H2,1H3
InChIKey LWQUEVXVFVFIMN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200700040
Molecular Weight 264.343 g/mol
SMILES C1N(CCC(C1)C#N)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4l-5900000000-40b295afc5aa1fc0391d
Source of Spectrum ASC-349-1478-2a_Ts
Wiley ID 1765641