![2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4-(4,6-dimethyl-2-benzothiazolyl)-2-methylphenyl]azo]-4-hydroxy-, disodium salt](/api/spectrum/E1ps1CFGvCh/structure.png?h=300&w=458 "2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4-(4,6-dimethyl-2-benzothiazolyl)-2-methylphenyl]azo]-4-hydroxy-, disodium salt")
| SpectraBase Compound ID | 858Pl8HPSM |
|---|---|
| InChI | InChI=1S/C28H24N4O8S3.2Na/c1-13-7-15(3)25-22(8-13)41-28(30-25)17-5-6-20(14(2)9-17)31-32-26-23(43(38,39)40)11-18-10-19(42(35,36)37)12-21(29-16(4)33)24(18)27(26)34;;/h5-12,34H,1-4H3,(H,29,33)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2 |
| InChIKey | XWGWHWCFZBPADA-UHFFFAOYSA-L |
| Mol Weight | 684.66353856 g/mol |
| Molecular Formula | C28H22N4Na2O8S3 |
| Exact Mass | 684.039516 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | E1ps1CFGvCh |
|---|---|
| Name | 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4-(4,6-dimethyl-2-benzothiazolyl)-2-methylphenyl]azo]-4-hydroxy-, disodium salt |
| CAS Registry Number | 6661-44-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H22N4Na2O8S3 |
| InChI | InChI=1S/C28H24N4O8S3.2Na/c1-13-7-15(3)25-22(8-13)41-28(30-25)17-5-6-20(14(2)9-17)31-32-26-23(43(38,39)40)11-18-10-19(42(35,36)37)12-21(29-16(4)33)24(18)27(26)34;;/h5-12,34H,1-4H3,(H,29,33)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2 |
| InChIKey | XWGWHWCFZBPADA-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |