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[4-FORMYL-3-HYDROXY-2-METHYL-6-(2',5'-DICARBOXYPHENYLAZO)-PYRID-5-YL]-METHYL-PHOSPHONIC-ACID-DISODIUM-SALT
SpectraBase Compound ID DUlXn1xvkqf
InChI InChI=1S/C16H14N3O9P.2Na/c1-7-13(21)10(5-20)11(6-29(26,27)28)14(17-7)19-18-12-4-8(15(22)23)2-3-9(12)16(24)25;;/h2-5,21H,6H2,1H3,(H,22,23)(H,24,25)(H2,26,27,28);;/q;2*+1/p-2/b19-18+;;
InChIKey WVPFEYDCOXAZGN-BUFQOAPZSA-L
Mol Weight 467.23730056 g/mol
Molecular Formula C16H12N3Na2O9P
Exact Mass 467.010655 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BU4hrn2T8yx
Name [4-FORMYL-3-HYDROXY-2-METHYL-6-(2',5'-DICARBOXYPHENYLAZO)-PYRID-5-YL]-METHYL-PHOSPHONIC-ACID-DISODIUM-SALT
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N3Na2O9P
InChI InChI=1S/C16H14N3O9P.2Na/c1-7-13(21)10(5-20)11(6-29(26,27)28)14(17-7)19-18-12-4-8(15(22)23)2-3-9(12)16(24)25;;/h2-5,21H,6H2,1H3,(H,22,23)(H,24,25)(H2,26,27,28);;/q;2*+1/p-2/b19-18+;;
InChIKey WVPFEYDCOXAZGN-BUFQOAPZSA-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 UWSI43932