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3-Phenyl-chromeno(4,3-C)isothiazol-4-one

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3-Phenyl-chromeno(4,3-C)isothiazol-4-one
SpectraBase Compound ID AaLjDiBTKpe
InChI InChI=1S/C16H9NO2S/c18-16-13-14(11-8-4-5-9-12(11)19-16)17-20-15(13)10-6-2-1-3-7-10/h1-9H
InChIKey JPRCQWBUIPYKDQ-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C16H9NO2S
Exact Mass 279.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6piIarAy1bj
Name 3-Phenyl-chromeno(4,3-C)isothiazol-4-one
CAS Registry Number 100747-54-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H9NO2S
InChI InChI=1S/C16H9NO2S/c18-16-13-14(11-8-4-5-9-12(11)19-16)17-20-15(13)10-6-2-1-3-7-10/h1-9H
InChIKey JPRCQWBUIPYKDQ-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