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3-(2,6-Dimethylanilino)-9-(o-carboxyphenyl)-6-xanthylium-2',6'-dimethylanilinium-4'-sulfonate
SpectraBase Compound ID 1f4YxUT38I9
InChI InChI=1S/C36H30N2O6S/c1-20-8-7-9-21(2)34(20)37-24-12-14-29-31(18-24)44-32-19-25(38-35-22(3)16-26(17-23(35)4)45(41,42)43)13-15-30(32)33(29)27-10-5-6-11-28(27)36(39)40/h5-19,37H,1-4H3,(H,39,40)(H,41,42,43)/b38-25-
InChIKey ROUDNQPQCZVYQO-NHXQZRDHSA-N
Mol Weight 618.7 g/mol
Molecular Formula C36H30N2O6S
Exact Mass 618.182458 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Akuv2CH1ETa
Name 3-(2,6-Dimethylanilino)-9-(o-carboxyphenyl)-6-xanthylium-2',6'-dimethylanilinium-4'-sulfonate
CAS Registry Number 6837-73-6
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Formula C36H30N2O6S
InChI InChI=1S/C36H30N2O6S/c1-20-8-7-9-21(2)34(20)37-24-12-14-29-31(18-24)44-32-19-25(38-35-22(3)16-26(17-23(35)4)45(41,42)43)13-15-30(32)33(29)27-10-5-6-11-28(27)36(39)40/h5-19,37H,1-4H3,(H,39,40)(H,41,42,43)/b38-25-
InChIKey ROUDNQPQCZVYQO-NHXQZRDHSA-N
Instrument Name Bruker IFS 85
Synonyms Xanthylium, 9-(2-carboxyphenyl)-3-[(2,6-dimethylphenyl)amino]-6-[(2,6-dimethyl-4-sulfophenyl)amino]-, hydroxide, inner salt
Technique KBr-Pellet