![[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]phenyl]6-methyl-, disodium salt](/api/spectrum/5BNtYMCj1Ew/structure.png?h=300&w=458 "[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]phenyl]6-methyl-, disodium salt")
| SpectraBase Compound ID | FiYbcqspoq5 |
|---|---|
| InChI | InChI=1S/C31H22N6O7S4.2Na/c1-16-3-13-24-27(28(16)48(42,43)44)46-30(33-24)19-6-14-23-25(15-19)45-29(32-23)18-4-7-20(8-5-18)34-35-26-17(2)36-37(31(26)38)21-9-11-22(12-10-21)47(39,40)41;;/h3-15,38H,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2 |
| InChIKey | ZSZHXCPTVYHEFM-UHFFFAOYSA-L |
| Mol Weight | 762.75553856 g/mol |
| Molecular Formula | C31H20N6Na2O7S4 |
| Exact Mass | 762.00717 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 5BNtYMCj1Ew |
|---|---|
| Name | [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]phenyl]6-methyl-, disodium salt |
| CAS Registry Number | 6537-65-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H20N6Na2O7S4 |
| InChI | InChI=1S/C31H22N6O7S4.2Na/c1-16-3-13-24-27(28(16)48(42,43)44)46-30(33-24)19-6-14-23-25(15-19)45-29(32-23)18-4-7-20(8-5-18)34-35-26-17(2)36-37(31(26)38)21-9-11-22(12-10-21)47(39,40)41;;/h3-15,38H,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2 |
| InChIKey | ZSZHXCPTVYHEFM-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |