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

View entire compound with spectra: 1 NMR

3-(3-Nitro-phenyl)-5-piperidino-1,4,2-dithiazolium cation
SpectraBase Compound ID LX1h4J64jBB
InChI InChI=1S/C13H14N3O2S2/c17-16(18)11-6-4-5-10(9-11)12-14-20-13(19-12)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2/q+1
InChIKey LFOAGOKINJIZKL-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C13H14N3O2S2
Exact Mass 308.052744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DuNIUouo02
Name 3-(3-Nitro-phenyl)-5-piperidino-1,4,2-dithiazolium cation
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14N3O2S2
InChI InChI=1S/C13H14N3O2S2/c17-16(18)11-6-4-5-10(9-11)12-14-20-13(19-12)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2/q+1
InChIKey LFOAGOKINJIZKL-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference F.S. Chan, M.P. Sammes, R.L.Harlow, J. Chem. Soc. Perkin I 899 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6