| SpectraBase Compound ID | 9PqaLFeoD7R |
|---|---|
| InChI | InChI=1S/C35H28N6O11S3.3Na/c1-18-12-24(38-39-25-16-28-27(30(17-25)54(47,48)49)4-3-5-29(28)53(44,45)46)13-19(2)32(18)40-41-33-31(55(50,51)52)15-21-14-23(10-11-26(21)34(33)42)37-35(43)20-6-8-22(36)9-7-20;;;/h3-17,42H,36H2,1-2H3,(H,37,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b39-38-,41-40+;;; |
| InChIKey | WHYNMFJUGXCCIR-MZAQPVMBSA-K |
| Mol Weight | 870.76530785 g/mol |
| Molecular Formula | C35H25N6Na3O11S3 |
| Exact Mass | 870.043652 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | GzYuYW0vZcY |
|---|---|
| Name | 1,5-Naphthalenedisulfonic acid, 3-[[4-[[6-[(4-aminobenzoyl) |
| CAS Registry Number | 6421-66-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H25N6Na3O11S3 |
| InChI | InChI=1S/C35H28N6O11S3.3Na/c1-18-12-24(38-39-25-16-28-27(30(17-25)54(47,48)49)4-3-5-29(28)53(44,45)46)13-19(2)32(18)40-41-33-31(55(50,51)52)15-21-14-23(10-11-26(21)34(33)42)37-35(43)20-6-8-22(36)9-7-20;;;/h3-17,42H,36H2,1-2H3,(H,37,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b39-38-,41-40+;;; |
| InChIKey | WHYNMFJUGXCCIR-MZAQPVMBSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | 3-Amino-1,5-naphthalindisulfonic acid->2,6-xylidine->N-p-Aminobenzoyl-J=acid |
| Technique | KBr-Pellet |