![1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium salt](/api/spectrum/8lGbu2ZnszE/structure.png?h=300&w=458 "1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium salt")
| SpectraBase Compound ID | 7fvv5Z5gzmF |
|---|---|
| InChI | InChI=1S/C24H17N5O9S3.3Na/c1-12-2-11-17-20(21(12)41(36,37)38)39-22(25-17)13-3-5-14(6-4-13)26-27-18-19(24(31)32)28-29(23(18)30)15-7-9-16(10-8-15)40(33,34)35;;;/h2-11,30H,1H3,(H,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b27-26+;;; |
| InChIKey | OZEKQSIJYFEVRU-DTBIJOOYSA-K |
| Mol Weight | 681.55130785 g/mol |
| Molecular Formula | C24H14N5Na3O9S3 |
| Exact Mass | 680.964673 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8lGbu2ZnszE |
|---|---|
| Name | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium salt |
| CAS Registry Number | 6442-00-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C24H14N5Na3O9S3 |
| InChI | InChI=1S/C24H17N5O9S3.3Na/c1-12-2-11-17-20(21(12)41(36,37)38)39-22(25-17)13-3-5-14(6-4-13)26-27-18-19(24(31)32)28-29(23(18)30)15-7-9-16(10-8-15)40(33,34)35;;;/h2-11,30H,1H3,(H,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b27-26+;;; |
| InChIKey | OZEKQSIJYFEVRU-DTBIJOOYSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Dehydrothio-p-toluidinesulfonic acid->3-carboxy-1-(p-sulfophenyl)-5-pyrazolon |
| Technique | KBr-Pellet |