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6-(2,4-Dimethoxy-phenyl)-3-methylthio-5H-imidazo (5,4-E)-1,2,4-triazinium cation

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6-(2,4-Dimethoxy-phenyl)-3-methylthio-5H-imidazo (5,4-E)-1,2,4-triazinium cation
SpectraBase Compound ID BL172jT2XeX
InChI InChI=1S/C13H13N5O2S/c1-19-7-4-5-8(9(6-7)20-2)10-14-11-12(15-10)17-18-13(16-11)21-3/h4-6H,1-3H3,(H,14,15,16,17,18)/p+1
InChIKey RWJQZRFKTLDFKK-UHFFFAOYSA-O
Mol Weight 304.35 g/mol
Molecular Formula C13H14N5O2S
Exact Mass 304.086821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBsKhynTtTg
Name 6-(2,4-Dimethoxy-phenyl)-3-methylthio-5H-imidazo (5,4-E)-1,2,4-triazinium cation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14N5O2S
InChI InChI=1S/C13H13N5O2S/c1-19-7-4-5-8(9(6-7)20-2)10-14-11-12(15-10)17-18-13(16-11)21-3/h4-6H,1-3H3,(H,14,15,16,17,18)/p+1
InChIKey RWJQZRFKTLDFKK-UHFFFAOYSA-O
Literature Reference P. Barraclough, D. Firmin, J.C. Lindon, J. Chem. Soc. Perkin II 1839 (1988).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6