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

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3-(4-Tolyl)-chromeno(4,3-C)isothiazol-4-one
SpectraBase Compound ID Lgad5cspfYz
InChI InChI=1S/C17H11NO2S/c1-10-6-8-11(9-7-10)16-14-15(18-21-16)12-4-2-3-5-13(12)20-17(14)19/h2-9H,1H3
InChIKey LNZFXGDXGINVJJ-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C17H11NO2S
Exact Mass 293.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8M4qqN3G16W
Name 3-(4-Tolyl)-chromeno(4,3-C)isothiazol-4-one
CAS Registry Number 100747-55-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H11NO2S
InChI InChI=1S/C17H11NO2S/c1-10-6-8-11(9-7-10)16-14-15(18-21-16)12-4-2-3-5-13(12)20-17(14)19/h2-9H,1H3
InChIKey LNZFXGDXGINVJJ-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