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2,4-Diamino-5-(3-amino-4-chloro-phenyl)-6-ethyl-pyridinium dication

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2,4-Diamino-5-(3-amino-4-chloro-phenyl)-6-ethyl-pyridinium dication
SpectraBase Compound ID Bstbosh7vw3
InChI InChI=1S/C12H14ClN5/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2,14H2,1H3,(H4,15,16,17,18)/p+2
InChIKey FBAZXCGPKSJTCE-UHFFFAOYSA-P
Mol Weight 265.75 g/mol
Molecular Formula C12H16ClN5
Exact Mass 265.109423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ru6TLPnOFs
Name 2,4-Diamino-5-(3-amino-4-chloro-phenyl)-6-ethyl-pyridinium dication
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16ClN5
InChI InChI=1S/C12H14ClN5/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2,14H2,1H3,(H4,15,16,17,18)/p+2
InChIKey FBAZXCGPKSJTCE-UHFFFAOYSA-P
Instrument Name Bruker WH-400
Literature Reference M.D. Threadgill, R.J. Griffin, J. Chem. Soc. Perkin I 2229 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH