![7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-sulfophenyl]-6-methyl-,disodium salt](/api/spectrum/3c0QMb5q1Rs/structure.png?h=300&w=458 "7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-sulfophenyl]-6-methyl-,disodium salt")
| SpectraBase Compound ID | LP8DJnXCBfv |
|---|---|
| InChI | InChI=1S/C25H22N4O9S3.2Na/c1-13-8-10-18-22(23(13)41(35,36)37)39-25(27-18)15-9-11-17(20(12-15)40(32,33)34)28-29-21(14(2)30)24(31)26-16-6-4-5-7-19(16)38-3;;/h4-12,30H,1-3H3,(H,26,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2 |
| InChIKey | VHKQQPDOJAIOKS-UHFFFAOYSA-L |
| Mol Weight | 662.61353856 g/mol |
| Molecular Formula | C25H20N4Na2O9S3 |
| Exact Mass | 662.01878 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3c0QMb5q1Rs |
|---|---|
| Name | 7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-sulfophenyl]-6-methyl-,disodium salt |
| CAS Registry Number | 10190-68-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C25H20N4Na2O9S3 |
| InChI | InChI=1S/C25H22N4O9S3.2Na/c1-13-8-10-18-22(23(13)41(35,36)37)39-25(27-18)15-9-11-17(20(12-15)40(32,33)34)28-29-21(14(2)30)24(31)26-16-6-4-5-7-19(16)38-3;;/h4-12,30H,1-3H3,(H,26,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2 |
| InChIKey | VHKQQPDOJAIOKS-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |