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3-(2-Acetoxy-phenyl)-isothiazole-5-carboxylic acid, ethyl ester

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3-(2-Acetoxy-phenyl)-isothiazole-5-carboxylic acid, ethyl ester
SpectraBase Compound ID 7g8wIYbU23t
InChI InChI=1S/C14H13NO4S/c1-3-18-14(17)13-8-11(15-20-13)10-6-4-5-7-12(10)19-9(2)16/h4-8H,3H2,1-2H3
InChIKey PZFVAZANAYCZAQ-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SLooSELdbe
Name 3-(2-Acetoxy-phenyl)-isothiazole-5-carboxylic acid, ethyl ester
CAS Registry Number 118134-17-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c1-3-18-14(17)13-8-11(15-20-13)10-6-4-5-7-12(10)19-9(2)16/h4-8H,3H2,1-2H3
InChIKey PZFVAZANAYCZAQ-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