![m-Phenylendiamine<-gamma-acid(alk)<-5-amino-2-[p-aminoanilino]benzolsulfoacid->(alk)gamma-acid->m-phenylendiamine](/api/spectrum/9FwbJRFYEQa/structure.png?h=300&w=458 "m-Phenylendiamine<-gamma-acid(alk)<-5-amino-2-[p-aminoanilino]benzolsulfoacid->(alk)gamma-acid->m-phenylendiamine")
| SpectraBase Compound ID | 4jEIE0F42Sv |
|---|---|
| InChI | InChI=1S/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3/b54-51-,55-52-,56-50?,57-53+;;; |
| InChIKey | QTFHTNFVUCUDIR-HPECPGSGSA-K |
| Mol Weight | 1083.96930785 g/mol |
| Molecular Formula | C44H32N13Na3O11S3 |
| Exact Mass | 1083.119945 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9FwbJRFYEQa |
|---|---|
| Name | m-Phenylendiamine<-gamma-acid(alk)<-5-amino-2-[p-aminoanilino]benzolsulfoacid->(alk)gammaacid->m-phenylendiamine |
| CAS Registry Number | 6473-13-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H32N13Na3O11S3 |
| InChI | InChI=1S/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3/b54-51-,55-52-,56-50?,57-53+;;; |
| InChIKey | QTFHTNFVUCUDIR-HPECPGSGSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |