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2-[N-(2,5-Dimethylphenyl)acetamido]-1,2-benzisothiazol-3(2H)-one-1,1-dioxide
SpectraBase Compound ID 7NdIcOiHkA3
InChI InChI=1S/C17H16N2O4S/c1-11-7-8-12(2)14(9-11)18-16(20)10-19-17(21)13-5-3-4-6-15(13)24(19,22)23/h3-9H,10H2,1-2H3,(H,18,20)
InChIKey XKVVRXKXJHTXHI-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C17H16N2O4S
Exact Mass 344.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICulbjCILbn
Name 2-[N-(2,5-Dimethylphenyl)acetamido]-1,2-benzisothiazol-3(2H)-one-1,1-dioxide
Alternate Name(s) N-(2,5-dimethylphenyl)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamide N-(2,5-dimethylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide N-(2,5-dimethylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide
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Formula C17H16N2O4S
InChI InChI=1S/C17H16N2O4S/c1-11-7-8-12(2)14(9-11)18-16(20)10-19-17(21)13-5-3-4-6-15(13)24(19,22)23/h3-9H,10H2,1-2H3,(H,18,20)
InChIKey XKVVRXKXJHTXHI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201300110
Molecular Weight 344.385 g/mol
SMILES N(C(CN1S(=O)(c2ccccc2C1=O)=O)=O)c1cc(ccc1C)C
SPLASH splash10-000t-0902000000-cabc9207010554ad93a9
Source of Spectrum APC-346-740-9a
Wiley ID 1769449