| SpectraBase Compound ID | IluyQMTNhBK |
|---|---|
| InChI | InChI=1S/C35H28ClN11O14S3.3Na/c1-16-10-25(27(61-3)15-24(16)44-43-23-9-8-21(47(50)51)13-28(23)63(55,56)57)45-46-31-29(64(58,59)60)12-18-11-22(62(52,53)54)14-26(30(18)32(31)49)39-35-41-33(36)40-34(42-35)38-20-6-4-19(5-7-20)37-17(2)48;;;/h4-15,49H,1-3H3,(H,37,48)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,38,39,40,41,42);;;/q;3*+1/p-3/b44-43+,46-45+;;; |
| InChIKey | RVEBPZMQZKGBJJ-FHFSZBPYSA-K |
| Mol Weight | 1024.25030785 g/mol |
| Molecular Formula | C35H25ClN11Na3O14S3 |
| Exact Mass | 1023.012619 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4GHZAMGSQVF |
|---|---|
| Name | 2,7-Naphthalenedisulfonic acid, 4-[[4-[[4-(acetylamino) |
| CAS Registry Number | 5852-24-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H25ClN11Na3O14S3 |
| InChI | InChI=1S/C35H28ClN11O14S3.3Na/c1-16-10-25(27(61-3)15-24(16)44-43-23-9-8-21(47(50)51)13-28(23)63(55,56)57)45-46-31-29(64(58,59)60)12-18-11-22(62(52,53)54)14-26(30(18)32(31)49)39-35-41-33(36)40-34(42-35)38-20-6-4-19(5-7-20)37-17(2)48;;;/h4-15,49H,1-3H3,(H,37,48)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,38,39,40,41,42);;;/q;3*+1/p-3/b44-43+,46-45+;;; |
| InChIKey | RVEBPZMQZKGBJJ-FHFSZBPYSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | 2-Amino-5-nitrobenzolsulfonic acid->cresidine->Condensation product of cyanurchloride, H=acid U.P-aminoacetanilide |
| Technique | KBr-Pellet |