| SpectraBase Compound ID | hO5ttI79uq |
|---|---|
| InChI | InChI=1S/C48H43N13O13S3.3Na/c49-37-23-30(51-15-17-62)9-12-39(37)58-55-32-3-1-26-19-43(76(69,70)71)45(47(64)35(26)21-32)60-54-29-7-5-28(6-8-29)53-41-14-11-34(25-42(41)75(66,67)68)57-61-46-44(77(72,73)74)20-27-2-4-33(22-36(27)48(46)65)56-59-40-13-10-31(24-38(40)50)52-16-18-63;;;/h1-14,19-25,51-53,62-65H,15-18,49-50H2,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3/b58-55-,59-56-,60-54+,61-57+;;; |
| InChIKey | ZCLZGAIIRSGUNH-HUTDBESSSA-K |
| Mol Weight | 1172.07530785 g/mol |
| Molecular Formula | C48H40N13Na3O13S3 |
| Exact Mass | 1171.172375 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | I4N2fqjxXgH |
|---|---|
| Name | (p-Aminoanilino)benzolsulfonic acid->(alk)gamma-acid->2-(m-Aminoanilino)ethanol<-gamma acid(alk)<-5-amino-2- |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H40N13Na3O13S3 |
| InChI | InChI=1S/C48H43N13O13S3.3Na/c49-37-23-30(51-15-17-62)9-12-39(37)58-55-32-3-1-26-19-43(76(69,70)71)45(47(64)35(26)21-32)60-54-29-7-5-28(6-8-29)53-41-14-11-34(25-42(41)75(66,67)68)57-61-46-44(77(72,73)74)20-27-2-4-33(22-36(27)48(46)65)56-59-40-13-10-31(24-38(40)50)52-16-18-63;;;/h1-14,19-25,51-53,62-65H,15-18,49-50H2,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3/b58-55-,59-56-,60-54+,61-57+;;; |
| InChIKey | ZCLZGAIIRSGUNH-HUTDBESSSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |