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3-(2-Hydroxy-phenyl)-isothiazole-5-carboxylic acid, ethyl ester
SpectraBase Compound ID 9b61pEc6Hp
InChI InChI=1S/C12H11NO3S/c1-2-16-12(15)11-7-9(13-17-11)8-5-3-4-6-10(8)14/h3-7,14H,2H2,1H3
InChIKey WXPWJHSHYUEOJB-UHFFFAOYSA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGb58NSVpP5
Name 3-(2-Hydroxy-phenyl)-isothiazole-5-carboxylic acid, ethyl ester
CAS Registry Number 118134-08-0
Comments SHIFTCORRECTION: +1.0 PPM - REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c1-2-16-12(15)11-7-9(13-17-11)8-5-3-4-6-10(8)14/h3-7,14H,2H2,1H3
InChIKey WXPWJHSHYUEOJB-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