![Benzenesulfonic acid, 3,3'-(carbonyldiimino)bis[6-[[4-[[1-(3-aminophenyl)4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-, disodium salt](/api/spectrum/7kVROP0OT5m/structure.png?h=300&w=458 "Benzenesulfonic acid, 3,3'-(carbonyldiimino)bis[6-[[4-[[1-(3-aminophenyl)4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-, disodium salt")
| SpectraBase Compound ID | HgUKfblXVmU |
|---|---|
| InChI | InChI=1S/C47H40N14O11S2.2Na/c1-25-41(45(64)60(58-25)35-7-3-5-29(48)21-35)56-54-31-13-9-27(10-14-31)43(62)52-37-19-17-33(23-39(37)73(67,68)69)50-47(66)51-34-18-20-38(40(24-34)74(70,71)72)53-44(63)28-11-15-32(16-12-28)55-57-42-26(2)59-61(46(42)65)36-8-4-6-30(49)22-36;;/h3-24,41-42H,48-49H2,1-2H3,(H,52,62)(H,53,63)(H2,50,51,66)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/b56-54+,57-55+;; |
| InChIKey | ABEZEEOYASURNX-UKOSMXAASA-L |
| Mol Weight | 1085.00753856 g/mol |
| Molecular Formula | C47H38N14Na2O11S2 |
| Exact Mass | 1084.208129 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7kVROP0OT5m |
|---|---|
| Name | Benzenesulfonic acid, 3,3'-(carbonyldiimino)bis[6-[[4-[[1-(3-aminophenyl)4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-, disodium salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C47H38N14Na2O11S2 |
| InChI | InChI=1S/C47H40N14O11S2.2Na/c1-25-41(45(64)60(58-25)35-7-3-5-29(48)21-35)56-54-31-13-9-27(10-14-31)43(62)52-37-19-17-33(23-39(37)73(67,68)69)50-47(66)51-34-18-20-38(40(24-34)74(70,71)72)53-44(63)28-11-15-32(16-12-28)55-57-42-26(2)59-61(46(42)65)36-8-4-6-30(49)22-36;;/h3-24,41-42H,48-49H2,1-2H3,(H,52,62)(H,53,63)(H2,50,51,66)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/b56-54+,57-55+;; |
| InChIKey | ABEZEEOYASURNX-UKOSMXAASA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |