![/Reduc. NO2 to NH2[J=acid(ac)<-2-amino-5-nitro-benzolsulfonic acid][p-Nitraniline->(ac)J=acid](alk)(2)<-benzidine->(1)(alk)](/api/spectrum/GcklzoeNoFD/structure.png?h=300&w=458 "/Reduc. NO2 to NH2[J=acid(ac)<-2-amino-5-nitro-benzolsulfonic acid][p-Nitraniline->(ac)J=acid](alk)(2)<-benzidine->(1)(alk)")
| SpectraBase Compound ID | 6KBUR7Sqnz9 |
|---|---|
| InChI | InChI=1S/C44H34N12O11S3.3Na/c45-24-5-12-28(13-6-24)49-53-39-31-20-37(69(62,63)64)41(43(57)29(31)14-16-33(39)47)55-50-26-8-1-22(2-9-26)23-3-10-27(11-4-23)51-56-42-38(70(65,66)67)21-32-30(44(42)58)15-17-34(48)40(32)54-52-35-18-7-25(46)19-36(35)68(59,60)61;;;/h1-21,57-58H,45-48H2,(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3/b53-49?,54-52?,55-50+,56-51+;;; |
| InChIKey | GXFFNGOTRYYCNM-ZHLCXLNCSA-K |
| Mol Weight | 1068.95430785 g/mol |
| Molecular Formula | C44H31N12Na3O11S3 |
| Exact Mass | 1068.109046 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | GcklzoeNoFD |
|---|---|
| Name | /Reduc. NO2 to NH2[J=acid(ac)<-2-amino-5-nitro-benzolsulfonic acid][p-Nitraniline->(ac)J=acid](alk)(2)<-benzidine->(1)(alk) |
| CAS Registry Number | 6661-39-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H31N12Na3O11S3 |
| InChI | InChI=1S/C44H34N12O11S3.3Na/c45-24-5-12-28(13-6-24)49-53-39-31-20-37(69(62,63)64)41(43(57)29(31)14-16-33(39)47)55-50-26-8-1-22(2-9-26)23-3-10-27(11-4-23)51-56-42-38(70(65,66)67)21-32-30(44(42)58)15-17-34(48)40(32)54-52-35-18-7-25(46)19-36(35)68(59,60)61;;;/h1-21,57-58H,45-48H2,(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3/b53-49?,54-52?,55-50+,56-51+;;; |
| InChIKey | GXFFNGOTRYYCNM-ZHLCXLNCSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |