![Benzoic acid, 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-3-methyl-, disodium salt](/api/spectrum/F5V2RdlaWA2/structure.png?h=300&w=458 "Benzoic acid, 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-3-methyl-, disodium salt")
| SpectraBase Compound ID | 4jlRNitrtIY |
|---|---|
| InChI | InChI=1S/C32H25N5O9S.2Na/c1-16-12-23(15-25(28(16)38)32(42)43)35-31(41)18-4-8-21(9-5-18)36-37-27-26(47(44,45)46)14-19-13-22(10-11-24(19)29(27)39)34-30(40)17-2-6-20(33)7-3-17;;/h2-15,38-39H,33H2,1H3,(H,34,40)(H,35,41)(H,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-36-;; |
| InChIKey | HNLBLJLVKZLYFP-OXSFBALZSA-L |
| Mol Weight | 699.60153856 g/mol |
| Molecular Formula | C32H23N5Na2O9S |
| Exact Mass | 699.101187 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | F5V2RdlaWA2 |
|---|---|
| Name | Benzoic acid, 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-3-methyl-, disodium salt |
| CAS Registry Number | 6492-65-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C32H23N5Na2O9S |
| InChI | InChI=1S/C32H25N5O9S.2Na/c1-16-12-23(15-25(28(16)38)32(42)43)35-31(41)18-4-8-21(9-5-18)36-37-27-26(47(44,45)46)14-19-13-22(10-11-24(19)29(27)39)34-30(40)17-2-6-20(33)7-3-17;;/h2-15,38-39H,33H2,1H3,(H,34,40)(H,35,41)(H,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-36-;; |
| InChIKey | HNLBLJLVKZLYFP-OXSFBALZSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |