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1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
SpectraBase Compound ID DXamjV4B3R4
InChI InChI=1S/C11H8N2O2S/c12-9-10-5-4-8-13(10)16(14,15)11-6-2-1-3-7-11/h1-8H
InChIKey XXJCLUNFWADISV-UHFFFAOYSA-N
Mol Weight 232.26 g/mol
Molecular Formula C11H8N2O2S
Exact Mass 232.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xSEbybx4ml
Name 1-(Phenylsulfonyl)pyrrole-2-carbonitrile
Alternate Name(s) 1-(benzenesulfonyl)-2-pyrrolecarbonitrile 1-(benzenesulfonyl)pyrrole-2-carbonitrile 1-besylpyrrole-2-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H8N2O2S
InChI InChI=1S/C11H8N2O2S/c12-9-10-5-4-8-13(10)16(14,15)11-6-2-1-3-7-11/h1-8H
InChIKey XXJCLUNFWADISV-UHFFFAOYSA-N
Molecular Weight 232.257 g/mol
SMILES c1([n](S(=O)(=O)c2ccccc2)ccc1)C#N
SPLASH splash10-004i-9030000000-99d2a8d1930834bb34f2
Source of Spectrum KC-0-2326-10
Wiley ID 828725