![Benzoic acid, 5-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-2-hydroxy-3-methyl-, trisodium salt](/api/spectrum/FRs5u8mzha7/structure.png?h=300&w=458 "Benzoic acid, 5-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-2-hydroxy-3-methyl-, trisodium salt")
| SpectraBase Compound ID | HdbfebbFXyp |
|---|---|
| InChI | InChI=1S/C20H17N3O11S2.3Na/c1-8-3-11(6-13(18(8)25)20(27)28)22-23-17-15(36(32,33)34)5-10-4-12(35(29,30)31)7-14(21-9(2)24)16(10)19(17)26;;;/h3-7,25-26H,1-2H3,(H,21,24)(H,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3/b23-22+;;; |
| InChIKey | NIAAFPSQRXTCQS-DQUNTQLESA-K |
| Mol Weight | 605.43130785 g/mol |
| Molecular Formula | C20H14N3Na3O11S2 |
| Exact Mass | 604.976283 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FRs5u8mzha7 |
|---|---|
| Name | Benzoic acid, 5-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-2-hydroxy-3-methyl-, trisodium salt |
| CAS Registry Number | 6826-52-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H14N3Na3O11S2 |
| InChI | InChI=1S/C20H17N3O11S2.3Na/c1-8-3-11(6-13(18(8)25)20(27)28)22-23-17-15(36(32,33)34)5-10-4-12(35(29,30)31)7-14(21-9(2)24)16(10)19(17)26;;;/h3-7,25-26H,1-2H3,(H,21,24)(H,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3/b23-22+;;; |
| InChIKey | NIAAFPSQRXTCQS-DQUNTQLESA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |