![1-Naphthalenesulfonic acid, 3-[[4-[[4'-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-4,5-dihydroxy-, trisodium salt](/api/spectrum/ITEb4zT8vvy/structure.png?h=300&w=458 "1-Naphthalenesulfonic acid, 3-[[4-[[4'-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-4,5-dihydroxy-, trisodium salt")
| SpectraBase Compound ID | AK4ag6rNLdh |
|---|---|
| InChI | InChI=1S/C44H32N6O13S3.3Na/c1-22-17-24(25-10-14-32(23(2)18-25)46-49-35-20-39(65(58,59)60)28-5-3-7-37(51)41(28)43(35)53)9-13-31(22)45-47-33-15-16-34(30-19-26(64(55,56)57)11-12-27(30)33)48-50-36-21-40(66(61,62)63)29-6-4-8-38(52)42(29)44(36)54;;;/h3-21,51-54H,1-2H3,(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3/b47-45+,49-46+,50-48+;;; |
| InChIKey | PCFQKOQSXLOJII-PBEQEFJNSA-K |
| Mol Weight | 1014.89430785 g/mol |
| Molecular Formula | C44H29N6Na3O13S3 |
| Exact Mass | 1014.064781 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | ITEb4zT8vvy |
|---|---|
| Name | 1-Naphthalenesulfonic acid, 3-[[4-[[4'-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-4,5-dihydroxy-, trisodium salt |
| CAS Registry Number | 6837-84-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H29N6Na3O13S3 |
| InChI | InChI=1S/C44H32N6O13S3.3Na/c1-22-17-24(25-10-14-32(23(2)18-25)46-49-35-20-39(65(58,59)60)28-5-3-7-37(51)41(28)43(35)53)9-13-31(22)45-47-33-15-16-34(30-19-26(64(55,56)57)11-12-27(30)33)48-50-36-21-40(66(61,62)63)29-6-4-8-38(52)42(29)44(36)54;;;/h3-21,51-54H,1-2H3,(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3/b47-45+,49-46+,50-48+;;; |
| InChIKey | PCFQKOQSXLOJII-PBEQEFJNSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |