![[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]phenyl]-6-methyl-, disodium salt](/api/spectrum/H9yEZw9EgLz/structure.png?h=300&w=458 "[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]phenyl]-6-methyl-, disodium salt")
| SpectraBase Compound ID | A8f5ahXJmqw |
|---|---|
| InChI | InChI=1S/C31H20N4O7S4.2Na/c1-16-2-11-24-28(29(16)46(40,41)42)44-31(33-24)19-5-12-23-26(15-19)43-30(32-23)17-3-7-20(8-4-17)34-35-27-22-10-9-21(45(37,38)39)14-18(22)6-13-25(27)36;;/h2-15,36H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b35-34+;; |
| InChIKey | LEVBBKHPCIRFPH-KGNAMTJXSA-L |
| Mol Weight | 732.72553856 g/mol |
| Molecular Formula | C31H18N4Na2O7S4 |
| Exact Mass | 731.985372 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | H9yEZw9EgLz |
|---|---|
| Name | [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]phenyl]-6-methyl-, disodium salt |
| CAS Registry Number | 5858-98-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H18N4Na2O7S4 |
| InChI | InChI=1S/C31H20N4O7S4.2Na/c1-16-2-11-24-28(29(16)46(40,41)42)44-31(33-24)19-5-12-23-26(15-19)43-30(32-23)17-3-7-20(8-4-17)34-35-27-22-10-9-21(45(37,38)39)14-18(22)6-13-25(27)36;;/h2-15,36H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b35-34+;; |
| InChIKey | LEVBBKHPCIRFPH-KGNAMTJXSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |