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3-(4-Chloro-phenyl)-chromeno(4,3-C)isothiazol-4-one

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3-(4-Chloro-phenyl)-chromeno(4,3-C)isothiazol-4-one
SpectraBase Compound ID 7a5ZEafSXvG
InChI InChI=1S/C16H8ClNO2S/c17-10-7-5-9(6-8-10)15-13-14(18-21-15)11-3-1-2-4-12(11)20-16(13)19/h1-8H
InChIKey QERPTBQBDIZBAO-UHFFFAOYSA-N
Mol Weight 313.76 g/mol
Molecular Formula C16H8ClNO2S
Exact Mass 312.996427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEFRBPZ2ucM
Name 3-(4-Chloro-phenyl)-chromeno(4,3-C)isothiazol-4-one
CAS Registry Number 100747-56-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H8ClNO2S
InChI InChI=1S/C16H8ClNO2S/c17-10-7-5-9(6-8-10)15-13-14(18-21-15)11-3-1-2-4-12(11)20-16(13)19/h1-8H
InChIKey QERPTBQBDIZBAO-UHFFFAOYSA-N
Literature Reference P.A. Brownsort, R.M. Paton, J. Chem. Soc. Perkin I 1679 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3