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m-[(2,4,6-triaminopyrimidin-5-yl)azo]benzoic acid, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 UV-Vis

m-[(2,4,6-triaminopyrimidin-5-yl)azo]benzoic acid, ethyl ester
SpectraBase Compound ID CI6NlU2OpGK
InChI InChI=1S/C13H15N7O2/c1-2-22-12(21)7-4-3-5-8(6-7)19-20-9-10(14)17-13(16)18-11(9)15/h3-6H,2H2,1H3,(H6,14,15,16,17,18)/b20-19+
InChIKey JVGBUTUGGIUFOO-FMQUCBEESA-N
Mol Weight 301.31 g/mol
Molecular Formula C13H15N7O2
Exact Mass 301.128723 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bOxXO5Ep4v
Name m-[(2,4,6-triaminopyrimidin-5-yl)azo]benzoic acid, ethyl ester
Source of Sample D. J. Triggle, State University of New York At Buffalo, Amherst, New York
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N7O2
InChI InChI=1S/C13H15N7O2/c1-2-22-12(21)7-4-3-5-8(6-7)19-20-9-10(14)17-13(16)18-11(9)15/h3-6H,2H2,1H3,(H6,14,15,16,17,18)/b20-19+
InChIKey JVGBUTUGGIUFOO-FMQUCBEESA-N
Instrument Name Varian A-60
Sadtler NMR Number 3498M
Solvent TFA
Synonyms BENZOIC ACID, M-//2,4,6-TRIAMINO- PYRIMIDIN-5-YL/AZO/-, ETHYL ESTER