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[4-FORMYL-3-HYDROXY-2-METHYL-6-(4'-CARBOXYPHENYLAZO)-PYRID-5-YL]-METHYL-PHOSPHONIC-ACID-DISODIUM-SALT
SpectraBase Compound ID 7nzsHrV9iUV
InChI InChI=1S/C15H14N3O7P.2Na/c1-8-13(20)11(6-19)12(7-26(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22;;/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2/b18-17+;;
InChIKey MWAMLVNWIFXTEU-QIKYXUGXSA-L
Mol Weight 423.22830056 g/mol
Molecular Formula C15H12N3Na2O7P
Exact Mass 423.020825 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 703NIspegf9
Name [4-FORMYL-3-HYDROXY-2-METHYL-6-(4'-CARBOXYPHENYLAZO)-PYRID-5-YL]-METHYL-PHOSPHONIC-ACID-DISODIUM-SALT
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12N3Na2O7P
InChI InChI=1S/C15H14N3O7P.2Na/c1-8-13(20)11(6-19)12(7-26(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22;;/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2/b18-17+;;
InChIKey MWAMLVNWIFXTEU-QIKYXUGXSA-L
Literature Reference Author Y.C.KIM,S.G.BROWN,T.K.HARDEN,J.L.BOYER,G.DUBYAK,B.F.KING,G.B URNSTOCK,K.A.JACOBSO
Literature Reference Citation J.MED.CHEM.,44,340(2001)
Literature Reference DOI 10.1021/jm9904203
Solvent D2O
Source File Reference UWSI43931