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3-(2-Acetamido-phenyl)-isothiazole-4,5-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 2TGchtHWSWC
InChI InChI=1S/C15H14N2O5S/c1-8(18)16-10-7-5-4-6-9(10)12-11(14(19)21-2)13(23-17-12)15(20)22-3/h4-7H,1-3H3,(H,16,18)
InChIKey JFKWMKIQIVKMKC-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C15H14N2O5S
Exact Mass 334.062343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I48LYDNvXoo
Name 3-(2-Acetamido-phenyl)-isothiazole-4,5-dicarboxylic acid, dimethyl ester
CAS Registry Number 118134-10-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H14N2O5S
InChI InChI=1S/C15H14N2O5S/c1-8(18)16-10-7-5-4-6-9(10)12-11(14(19)21-2)13(23-17-12)15(20)22-3/h4-7H,1-3H3,(H,16,18)
InChIKey JFKWMKIQIVKMKC-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