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

View entire compound with spectra: 1 NMR

3-(4-Nitro-phenyl)-5-(1-pyrrolidinyl)-1,4,2-dithiazolium cation
SpectraBase Compound ID D2Iw7jD2MBy
InChI InChI=1S/C12H12N3O2S2/c16-15(17)10-5-3-9(4-6-10)11-13-19-12(18-11)14-7-1-2-8-14/h3-6H,1-2,7-8H2/q+1
InChIKey XEIPNQOVUIYLIW-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 GQ8kTOCaDr1
Name 3-(4-Nitro-phenyl)-5-(1-pyrrolidinyl)-1,4,2-dithiazolium cation
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12N3O2S2
InChI InChI=1S/C12H12N3O2S2/c16-15(17)10-5-3-9(4-6-10)11-13-19-12(18-11)14-7-1-2-8-14/h3-6H,1-2,7-8H2/q+1
InChIKey XEIPNQOVUIYLIW-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