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3-(2-Acetoxy-phenyl)-isothiazole-4,5-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 5xafk5uHUoe
InChI InChI=1S/C15H13NO6S/c1-8(17)22-10-7-5-4-6-9(10)12-11(14(18)20-2)13(23-16-12)15(19)21-3/h4-7H,1-3H3
InChIKey XABIOBIORCNMLK-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C15H13NO6S
Exact Mass 335.046358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvEwCGa7aVm
Name 3-(2-Acetoxy-phenyl)-isothiazole-4,5-dicarboxylic acid, dimethyl ester
CAS Registry Number 118134-04-6
Comments reassigned
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Formula C15H13NO6S
InChI InChI=1S/C15H13NO6S/c1-8(17)22-10-7-5-4-6-9(10)12-11(14(18)20-2)13(23-16-12)15(19)21-3/h4-7H,1-3H3
InChIKey XABIOBIORCNMLK-UHFFFAOYSA-N
Literature Reference P.A. Brownsort, R.M. Paton, J. Chem. Soc. Perkin I 2339 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3