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N-[3'-(Ethoxycarbonyl)-2'-oxopropyl]-1,2-benzisothiazol-3(2H)-one - 1,1-Dioxide
SpectraBase Compound ID KaeTSMwrFfv
InChI InChI=1S/C13H13NO6S/c1-2-20-12(16)7-9(15)8-14-13(17)10-5-3-4-6-11(10)21(14,18)19/h3-6H,2,7-8H2,1H3
InChIKey BZENDRQFWGLDRW-UHFFFAOYSA-N
Mol Weight 311.31 g/mol
Molecular Formula C13H13NO6S
Exact Mass 311.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wZWjsXX6r
Name N-[3'-(Ethoxycarbonyl)-2'-oxopropyl]-1,2-benzisothiazol-3(2H)-one - 1,1-Dioxide
Alternate Name(s) Ethyl 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-3-oxobutanoate 3-Oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid ethyl ester Ethyl 3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Ethyl 3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate
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Formula C13H13NO6S
InChI InChI=1S/C13H13NO6S/c1-2-20-12(16)7-9(15)8-14-13(17)10-5-3-4-6-11(10)21(14,18)19/h3-6H,2,7-8H2,1H3
InChIKey BZENDRQFWGLDRW-UHFFFAOYSA-N
Molecular Weight 311.308 g/mol
SMILES C1(N(S(c2c1cccc2)(=O)=O)CC(CC(=O)OCC)=O)=O
SPLASH splash10-0frw-4910000000-80721d068a4bbbabe03e
Source of Spectrum F5-3-4114-6c
Wiley ID 1732605