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2,4-Diamino-5-(3-azido-4-chloro-phenyl)-6-ehtyl-pyrimidinium cation
SpectraBase Compound ID AK2UaeRLkjz
InChI InChI=1S/C12H12ClN7/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16/h3-5H,2H2,1H3,(H4,14,15,17,18)/p+1
InChIKey CTABHCUZJBWUKN-UHFFFAOYSA-O
Mol Weight 290.74 g/mol
Molecular Formula C12H13ClN7
Exact Mass 290.092096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAapyYdZplO
Name 2,4-Diamino-5-(3-azido-4-chloro-phenyl)-6-ehtyl-pyrimidinium cation
Comments MONOETHANESULFONATE, SIGNALS AT 45.31, 9.70 PPM
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Formula C12H13ClN7
InChI InChI=1S/C12H12ClN7/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16/h3-5H,2H2,1H3,(H4,14,15,17,18)/p+1
InChIKey CTABHCUZJBWUKN-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