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2-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-malonic acid dimethyl ester
SpectraBase Compound ID 8nWWBaI2hQ7
InChI InChI=1S/C12H11NO7S/c1-19-11(15)9(12(16)20-2)13-10(14)7-5-3-4-6-8(7)21(13,17)18/h3-6,9H,1-2H3
InChIKey JHIDWQJAQGSHRT-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C12H11NO7S
Exact Mass 313.025623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2vEl9lg9Rt
Name 2-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-malonic acid dimethyl ester
Alternate Name(s) 3-[bis(Methoxycarbonyl)methoxy]-1,2-benzisothiazol-3(2H)-one - 1,1-Dioxide Dimethyl 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)malonate 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanedioic acid dimethyl ester Dimethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanedioate Dimethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanedioate
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Formula C12H11NO7S
InChI InChI=1S/C12H11NO7S/c1-19-11(15)9(12(16)20-2)13-10(14)7-5-3-4-6-8(7)21(13,17)18/h3-6,9H,1-2H3
InChIKey JHIDWQJAQGSHRT-UHFFFAOYSA-N
Molecular Weight 313.280 g/mol
SMILES C1(N(S(c2c1cccc2)(=O)=O)C(C(=O)OC)C(OC)=O)=O
SPLASH splash10-0ufr-6940000000-00a92cb24ba149543c8a
Source of Spectrum F5-3-4114-6a
Wiley ID 1732606