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4-Amino-3-nitrobenzenesulfonic acid -> acetoacetic arylide-2-methylanilide, ca-salt
SpectraBase Compound ID 8nG9qNB8elS
InChI InChI=1S/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-12-7-8-15(29(26,27)28)14(9-12)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2/b2*20-19+;
InChIKey VDCDIFNFZLWAMC-FFRZOONGSA-L
Mol Weight 878.85 g/mol
Molecular Formula C34H30CaN8O14S2
Exact Mass 878.094881 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8O80qKogBUe
Name 4-Amino-3-nitrobenzenesulfonic acid -> acetoacetic arylide-2-methylanilide, ca-salt
Source of Sample Ciba-Geigy
Color Properties Colour Index Name= Pigment Yellow 62:1 Colour Index Number= 13940
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Formula C34H30CaN8O14S2
Hummel Decimal Number 012211
InChI InChI=1S/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-12-7-8-15(29(26,27)28)14(9-12)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2/b2*20-19+;
InChIKey VDCDIFNFZLWAMC-FFRZOONGSA-L
Sample Description Yellow solid
Synonyms Irgaplast Gelb R
Technique KBr pellet