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2-Amino-3,5-xylolsulfonic acid->3-carboxy-1-(p-sulfophenyl)-5-pyrazolon/tri-Na salt
SpectraBase Compound ID ABL4P0IJZaY
InChI InChI=1S/C18H16N4O9S2.3Na/c1-9-7-10(2)14(13(8-9)33(29,30)31)19-20-15-16(18(24)25)21-22(17(15)23)11-3-5-12(6-4-11)32(26,27)28;;;/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b20-19+;;;
InChIKey ZXFOUOHLKJSOCZ-HVARVCSCSA-K
Mol Weight 562.41030785 g/mol
Molecular Formula C18H13N4Na3O9S2
Exact Mass 561.981703 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FqIcqGR77Wu
Name 2-Amino-3,5-xylolsulfonic acid->3-carboxy-1-(p-sulfophenyl)-5-pyrazolon/tri-Na salt
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Formula C18H13N4Na3O9S2
InChI InChI=1S/C18H16N4O9S2.3Na/c1-9-7-10(2)14(13(8-9)33(29,30)31)19-20-15-16(18(24)25)21-22(17(15)23)11-3-5-12(6-4-11)32(26,27)28;;;/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b20-19+;;;
InChIKey ZXFOUOHLKJSOCZ-HVARVCSCSA-K
Instrument Name Bruker IFS 85
Technique KBr-Pellet