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p-[(2,4,6-Triamino-5-pyrimidinyl)azo]benzoic acid, ethyl ester

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

p-[(2,4,6-Triamino-5-pyrimidinyl)azo]benzoic acid, ethyl ester
SpectraBase Compound ID FjG3lBUTbVJ
InChI InChI=1S/C13H15N7O2/c1-2-22-12(21)7-3-5-8(6-4-7)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 WZQQJVQXDUYDPT-FMQUCBEESA-N
Mol Weight 301.31 g/mol
Molecular Formula C13H15N7O2
Exact Mass 301.128723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQlgHfC8UnF
Name p-[(2,4,6-Triamino-5-pyrimidinyl)azo]benzoic acid, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.128722749 u
Formula C13H15N7O2
InChI InChI=1S/C13H15N7O2/c1-2-22-12(21)7-3-5-8(6-4-7)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 WZQQJVQXDUYDPT-FMQUCBEESA-N
Molecular Weight 301.310 g/mol
SMILES NC=1C(=C(N=C(N1)N)N)\N=N\C=1C=CC(=CC1)C(OCC)=O