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4-(4-Methylphenyl)sulfonyl-1,4-benzothiazine-2-carbonitrile
SpectraBase Compound ID a3OTJMR6At
InChI InChI=1S/C16H12N2O2S2/c1-12-6-8-14(9-7-12)22(19,20)18-11-13(10-17)21-16-5-3-2-4-15(16)18/h2-9,11H,1H3
InChIKey WOKOVDAKTPTTQX-UHFFFAOYSA-N
Mol Weight 328.4 g/mol
Molecular Formula C16H12N2O2S2
Exact Mass 328.03402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OxdMBGr73y
Name 4-(4-Methylphenyl)sulfonyl-1,4-benzothiazine-2-carbonitrile
Alternate Name(s) 4-(p-tolylsulfonyl)-1,4-benzothiazine-2-carbonitrile 4-Tosyl-1,4-benzothiazine-2-carbonitrile
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Formula C16H12N2O2S2
InChI InChI=1S/C16H12N2O2S2/c1-12-6-8-14(9-7-12)22(19,20)18-11-13(10-17)21-16-5-3-2-4-15(16)18/h2-9,11H,1H3
InChIKey WOKOVDAKTPTTQX-UHFFFAOYSA-N
Molecular Weight 328.404 g/mol
SMILES C=1(Sc2c(N(C1)S(=O)(=O)c1ccc(cc1)C)cccc2)C#N
SPLASH splash10-00di-0921000000-a9fd969d187541ea67e4
Source of Spectrum SO-0-1081-2
Wiley ID 1611978