![2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[3-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt](/api/spectrum/1onCNalHjJw/structure.png?h=300&w=458 "2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[3-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt")
| SpectraBase Compound ID | 9A89s7UYs9j |
|---|---|
| InChI | InChI=1S/C34H29N5O9S2.2Na/c1-19-15-24(36-38-31(21(3)40)34(42)35-23-7-5-4-6-8-23)9-12-27(19)28-13-10-25(16-20(28)2)37-39-32-30(50(46,47)48)18-22-17-26(49(43,44)45)11-14-29(22)33(32)41;;/h4-18,40-41H,1-3H3,(H,35,42)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b31-21?,38-36-,39-37+;; |
| InChIKey | JMTSEQBOCPYBOP-ZVVXCYRLSA-L |
| Mol Weight | 759.71553856 g/mol |
| Molecular Formula | C34H27N5Na2O9S2 |
| Exact Mass | 759.104558 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1onCNalHjJw |
|---|---|
| Name | 2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[3-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt |
| CAS Registry Number | 6598-54-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H27N5Na2O9S2 |
| InChI | InChI=1S/C34H29N5O9S2.2Na/c1-19-15-24(36-38-31(21(3)40)34(42)35-23-7-5-4-6-8-23)9-12-27(19)28-13-10-25(16-20(28)2)37-39-32-30(50(46,47)48)18-22-17-26(49(43,44)45)11-14-29(22)33(32)41;;/h4-18,40-41H,1-3H3,(H,35,42)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b31-21?,38-36-,39-37+;; |
| InChIKey | JMTSEQBOCPYBOP-ZVVXCYRLSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |