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p-{[2,4-diamino-6-(octylamino)-5-pyrimidinyl]azo}benzoic acid, ethyl ester
SpectraBase Compound ID 9WrG64kEDSr
InChI InChI=1S/C21H31N7O2/c1-3-5-6-7-8-9-14-24-19-17(18(22)25-21(23)26-19)28-27-16-12-10-15(11-13-16)20(29)30-4-2/h10-13H,3-9,14H2,1-2H3,(H5,22,23,24,25,26)/b28-27+
InChIKey RJWNYMFTFZEQKP-BYYHNAKLSA-N
Mol Weight 413.53 g/mol
Molecular Formula C21H31N7O2
Exact Mass 413.253923 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86hMr2ftv6s
Name p-{[2,4-diamino-6-(octylamino)-5-pyrimidinyl]azo}benzoic acid, ethyl ester
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Formula C21H31N7O2
InChI InChI=1S/C21H31N7O2/c1-3-5-6-7-8-9-14-24-19-17(18(22)25-21(23)26-19)28-27-16-12-10-15(11-13-16)20(29)30-4-2/h10-13H,3-9,14H2,1-2H3,(H5,22,23,24,25,26)/b28-27+
InChIKey RJWNYMFTFZEQKP-BYYHNAKLSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 35705M
Solvent CDCl3
Synonyms ethyl 4-{[2,4-diamino-6-(octylamino)pyrimidin-5-yl]diazenyl}benzoate