| SpectraBase Compound ID | FunWpykCK9Z |
|---|---|
| InChI | InChI=1S/C23H24N6O14S3.3Na/c1-13-8-17(24-23-19(29(32)33)10-15(28(30)31)11-22(23)46(40,41)42)20(43-3)12-16(13)26-25-14-4-5-18(21(9-14)45(37,38)39)27(2)6-7-44(34,35)36;;;/h4-5,8-12,24H,6-7H2,1-3H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b26-25-;;; |
| InChIKey | OWNXYQRNTMPPRM-SWLCOABPSA-K |
| Mol Weight | 770.59830785 g/mol |
| Molecular Formula | C23H21N6Na3O14S3 |
| Exact Mass | 769.997096 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JM8nk3PT3j |
|---|---|
| Name | /Condense with 2-chloro-3,5-dinitrobenzolsulfonic acid |
| CAS Registry Number | 10142-45-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C23H21N6Na3O14S3 |
| InChI | InChI=1S/C23H24N6O14S3.3Na/c1-13-8-17(24-23-19(29(32)33)10-15(28(30)31)11-22(23)46(40,41)42)20(43-3)12-16(13)26-25-14-4-5-18(21(9-14)45(37,38)39)27(2)6-7-44(34,35)36;;;/h4-5,8-12,24H,6-7H2,1-3H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b26-25-;;; |
| InChIKey | OWNXYQRNTMPPRM-SWLCOABPSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Benzenesulfonic acid, 2-[[2-methoxy-5-methyl-4-[[4-[methylN-(4-Amino-2-sulfophenyl)-N-methyltaurine->cresidin |
| Technique | KBr-Pellet |