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2,4-Diamino-5-(4-chloro-phenyl)-6-ethyl-pyrimidinium cation

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2,4-Diamino-5-(4-chloro-phenyl)-6-ethyl-pyrimidinium cation
SpectraBase Compound ID DTg8TaXTsRx
InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)/p+1
InChIKey WKSAUQYGYAYLPV-UHFFFAOYSA-O
Mol Weight 249.73 g/mol
Molecular Formula C12H14ClN4
Exact Mass 249.090699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5gs57CquL6
Name 2,4-Diamino-5-(4-chloro-phenyl)-6-ethyl-pyrimidinium cation
Comments MONOETHANESULFONATE, SIGNALS AT 45.37, 9.79 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14ClN4
InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)/p+1
InChIKey WKSAUQYGYAYLPV-UHFFFAOYSA-O
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 DMSO-D6