![3-Carboxy-1-(m-nitrophenyl)-5-pyrazolon<-5,5'-ureylenbis[2-(p-Aminobenzamido)benzolsulfonic acid]->3-carboxy-1-(m-nitrophenyl)-5-pyrazolon/reduc.no2 zu nh2](/api/spectrum/7AyONfZZsSp/structure.png?h=300&w=458 "3-Carboxy-1-(m-nitrophenyl)-5-pyrazolon<-5,5'-ureylenbis[2-(p-Aminobenzamido)benzolsulfonic acid]->3-carboxy-1-(m-nitrophenyl)-5-pyrazolon/reduc.no2 zu nh2")
| SpectraBase Compound ID | X0tw8qXOoN |
|---|---|
| InChI | InChI=1S/C47H36N14O15S2.4Na/c48-25-3-1-5-31(19-25)60-43(64)37(39(58-60)45(66)67)56-54-27-11-7-23(8-12-27)41(62)52-33-17-15-29(21-35(33)77(71,72)73)50-47(70)51-30-16-18-34(36(22-30)78(74,75)76)53-42(63)24-9-13-28(14-10-24)55-57-38-40(46(68)69)59-61(44(38)65)32-6-2-4-26(49)20-32;;;;/h1-22,64-65H,48-49H2,(H,52,62)(H,53,63)(H,66,67)(H,68,69)(H2,50,51,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4/b56-54-,57-55-;;;; |
| InChIKey | NUTOGLRGIYVHPP-HPJOMUNQSA-J |
| Mol Weight | 1188.93507713 g/mol |
| Molecular Formula | C47H32N14Na4O15S2 |
| Exact Mass | 1188.120376 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7AyONfZZsSp |
|---|---|
| Name | 3-Carboxy-1-(m-nitrophenyl)-5-pyrazolon<-5,5'-ureylenbis[2-(p-Aminobenzamido)benzolsulfonic acid]->3-carboxy-1-(m-nitrophenyl)-5-pyrazolon/reduc.no2 zu nh2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C47H32N14Na4O15S2 |
| InChI | InChI=1S/C47H36N14O15S2.4Na/c48-25-3-1-5-31(19-25)60-43(64)37(39(58-60)45(66)67)56-54-27-11-7-23(8-12-27)41(62)52-33-17-15-29(21-35(33)77(71,72)73)50-47(70)51-30-16-18-34(36(22-30)78(74,75)76)53-42(63)24-9-13-28(14-10-24)55-57-38-40(46(68)69)59-61(44(38)65)32-6-2-4-26(49)20-32;;;;/h1-22,64-65H,48-49H2,(H,52,62)(H,53,63)(H,66,67)(H,68,69)(H2,50,51,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4/b56-54-,57-55-;;;; |
| InChIKey | NUTOGLRGIYVHPP-HPJOMUNQSA-J |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |