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3-Amino-1-(p-tosyl)indole-2-carbonitrile
SpectraBase Compound ID 1ROETrewnH7
InChI InChI=1S/C16H13N3O2S/c1-11-6-8-12(9-7-11)22(20,21)19-14-5-3-2-4-13(14)16(18)15(19)10-17/h2-9H,18H2,1H3
InChIKey MBGFESNNDBEDIM-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWABE6FifGn
Name 3-Amino-1-(p-tosyl)indole-2-carbonitrile
Alternate Name(s) 3-Amino-1-(4-methylphenyl)sulfonyl-2-indolecarbonitrile 3-Amino-1-(4-methylphenyl)sulfonylindole-2-carbonitrile 3-Amino-1-(p-tolylsulfonyl)indole-2-carbonitrile 3-Azanyl-1-(4-methylphenyl)sulfonyl-indole-2-carbonitrile
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Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c1-11-6-8-12(9-7-11)22(20,21)19-14-5-3-2-4-13(14)16(18)15(19)10-17/h2-9H,18H2,1H3
InChIKey MBGFESNNDBEDIM-UHFFFAOYSA-N
Molecular Weight 311.359 g/mol
SMILES Nc1c([n](S(c2ccc(cc2)C)(=O)=O)c2c1cccc2)C#N
SPLASH splash10-0a4i-2900000000-e65351542592325abc0a
Source of Spectrum F-66-3021-4a
Wiley ID 1682702