![1-(6-Chloro-4-sulfo-o-tolyl)-3-methyl-5-pyrazolon[-4,4'-Benzylidene-dianiline-]](/api/spectrum/C7gDd0r4Isz/structure.png?h=300&w=458 "1-(6-Chloro-4-sulfo-o-tolyl)-3-methyl-5-pyrazolon[-4,4'-Benzylidene-dianiline-]")
| SpectraBase Compound ID | Krcs1V6NJJb |
|---|---|
| InChI | InChI=1S/C41H34Cl2N8O8S2.2Na/c1-22-18-31(60(54,55)56)20-33(42)38(22)50-40(52)36(24(3)48-50)46-44-29-14-10-27(11-15-29)35(26-8-6-5-7-9-26)28-12-16-30(17-13-28)45-47-37-25(4)49-51(41(37)53)39-23(2)19-32(21-34(39)43)61(57,58)59;;/h5-21,35,52-53H,1-4H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2 |
| InChIKey | HQOOKGRNMLADEP-UHFFFAOYSA-L |
| Mol Weight | 945.76053856 g/mol |
| Molecular Formula | C41H32Cl2N8Na2O8S2 |
| Exact Mass | 944.095696 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | C7gDd0r4Isz |
|---|---|
| Name | 1-(6-Chloro-4-sulfo-o-tolyl)-3-methyl-5-pyrazolon[-4,4'-Benzylidene-dianiline-] |
| CAS Registry Number | 6548-24-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H32Cl2N8Na2O8S2 |
| InChI | InChI=1S/C41H34Cl2N8O8S2.2Na/c1-22-18-31(60(54,55)56)20-33(42)38(22)50-40(52)36(24(3)48-50)46-44-29-14-10-27(11-15-29)35(26-8-6-5-7-9-26)28-12-16-30(17-13-28)45-47-37-25(4)49-51(41(37)53)39-23(2)19-32(21-34(39)43)61(57,58)59;;/h5-21,35,52-53H,1-4H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2 |
| InChIKey | HQOOKGRNMLADEP-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |