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

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5-Morpholino-3-(4-nitro-phenyl)-1,4,2-dithiazolium cation
SpectraBase Compound ID 5xtjaXGJvU7
InChI InChI=1S/C12H12N3O3S2/c16-15(17)10-3-1-9(2-4-10)11-13-20-12(19-11)14-5-7-18-8-6-14/h1-4H,5-8H2/q+1
InChIKey VATOMGKFTKOZRV-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C12H12N3O3S2
Exact Mass 310.032009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2j3uqCIOwUT
Name 5-Morpholino-3-(4-nitro-phenyl)-1,4,2-dithiazolium cation
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12N3O3S2
InChI InChI=1S/C12H12N3O3S2/c16-15(17)10-3-1-9(2-4-10)11-13-20-12(19-11)14-5-7-18-8-6-14/h1-4H,5-8H2/q+1
InChIKey VATOMGKFTKOZRV-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