![1,3-Benzenedisulfonic acid, 4,6-diamino-5-[[4-(6-methyl-7-sulfo[2,6'-bibenzothiazol]-2'-yl)phenyl]azo], trisodium salt](/api/spectrum/IFcXVXgV0zP/structure.png?h=300&w=458 "1,3-Benzenedisulfonic acid, 4,6-diamino-5-[[4-(6-methyl-7-sulfo[2,6'-bibenzothiazol]-2'-yl)phenyl]azo], trisodium salt")
| SpectraBase Compound ID | GM5MYGz0yvc |
|---|---|
| InChI | InChI=1S/C27H20N6O9S5.3Na/c1-12-2-8-17-24(25(12)47(40,41)42)44-27(31-17)14-5-9-16-18(10-14)43-26(30-16)13-3-6-15(7-4-13)32-33-23-21(28)19(45(34,35)36)11-20(22(23)29)46(37,38)39;;;/h2-11H,28-29H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b33-32-;;; |
| InChIKey | JIDMIMBCRCVSAD-IIWZCXMMSA-K |
| Mol Weight | 798.73530785 g/mol |
| Molecular Formula | C27H17N6Na3O9S5 |
| Exact Mass | 797.935365 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | IFcXVXgV0zP |
|---|---|
| Name | 1,3-Benzenedisulfonic acid, 4,6-diamino-5-[[4-(6-methyl-7-sulfo[2,6'-bibenzothiazol]-2'-yl)phenyl]azo], trisodium salt |
| CAS Registry Number | 10190-73-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H17N6Na3O9S5 |
| InChI | InChI=1S/C27H20N6O9S5.3Na/c1-12-2-8-17-24(25(12)47(40,41)42)44-27(31-17)14-5-9-16-18(10-14)43-26(30-16)13-3-6-15(7-4-13)32-33-23-21(28)19(45(34,35)36)11-20(22(23)29)46(37,38)39;;;/h2-11H,28-29H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b33-32-;;; |
| InChIKey | JIDMIMBCRCVSAD-IIWZCXMMSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |