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3-(3-Nitro-phenyl)-5-(1-pyrrolidinyl)-1,4,2-dithiazolium cation
SpectraBase Compound ID D5zm0GS91pt
InChI InChI=1S/C12H12N3O2S2/c16-15(17)10-5-3-4-9(8-10)11-13-19-12(18-11)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2/q+1
InChIKey HPWOLYNHTYFTNF-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C12H12N3O2S2
Exact Mass 294.037094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcV4zEj2VCM
Name 3-(3-Nitro-phenyl)-5-(1-pyrrolidinyl)-1,4,2-dithiazolium cation
Comments tetrafluoroborate
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Formula C12H12N3O2S2
InChI InChI=1S/C12H12N3O2S2/c16-15(17)10-5-3-4-9(8-10)11-13-19-12(18-11)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2/q+1
InChIKey HPWOLYNHTYFTNF-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 CD3CN