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5-(4-Methoxy-phenyl)-3-phenyl-1,4,2-dithiazolium cation

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5-(4-Methoxy-phenyl)-3-phenyl-1,4,2-dithiazolium cation
SpectraBase Compound ID ClneGnUc3FJ
InChI InChI=1S/C15H12NOS2/c1-17-13-9-7-12(8-10-13)15-18-14(16-19-15)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKey IXEXLLSMJGIBHC-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C15H12NOS2
Exact Mass 286.036031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoysmDqCUsY
Name 5-(4-Methoxy-phenyl)-3-phenyl-1,4,2-dithiazolium cation
Comments PERCHLORATE, CF3CO2D AS SOLVENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H12NOS2
InChI InChI=1S/C15H12NOS2/c1-17-13-9-7-12(8-10-13)15-18-14(16-19-15)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKey IXEXLLSMJGIBHC-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference S. Xie, S. Fan, M.P. Sammes, J. Chem. Soc. Perkin I 2465 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany