| SpectraBase Compound ID | BFPmiRgR8Cq |
|---|---|
| InChI | InChI=1S/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37-,40-38-;;; |
| InChIKey | NEXGZHJENSOMLV-OIRFYFLLSA-K |
| Mol Weight | 822.66230785 g/mol |
| Molecular Formula | C34H21N6Na3O11S2 |
| Exact Mass | 822.040281 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | J1UdkBN7LKi |
|---|---|
| Name | Aniline(1)->6,6'-ureylenbis-1-naphthol-3-sulfonacid<-(2)p-aminobenzoeacid |
| CAS Registry Number | 6598-63-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H21N6Na3O11S2 |
| InChI | InChI=1S/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37-,40-38-;;; |
| InChIKey | NEXGZHJENSOMLV-OIRFYFLLSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, trisodium salt |
| Technique | KBr-Pellet |