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

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3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-1,4,2-dithiazolium cation
SpectraBase Compound ID AE36Xuy5vLU
InChI InChI=1S/C15H11ClNOS2/c1-18-13-8-4-11(5-9-13)15-19-14(17-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKey URMHYIGDMWBUKT-UHFFFAOYSA-N
Mol Weight 321.84 g/mol
Molecular Formula C15H12ClNOS2
Exact Mass 321.004884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbOK7eMDUTr
Name 3-(4-Chloro-phenyl)-5-(4-methoxy-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 C15H12ClNOS2
InChI InChI=1S/C15H11ClNOS2/c1-18-13-8-4-11(5-9-13)15-19-14(17-20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKey URMHYIGDMWBUKT-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