![Salicylic acid[m-tolidine-]1-(2-methyl-4-sulfophenyl)-3-methyl-5-pyrazolon](/api/spectrum/EAJEfXyreTB/structure.png?h=300&w=458 "Salicylic acid[m-tolidine-]1-(2-methyl-4-sulfophenyl)-3-methyl-5-pyrazolon")
| SpectraBase Compound ID | GP14xzYQERx |
|---|---|
| InChI | InChI=1S/C32H28N6O7S.2Na/c1-17-13-21(33-34-23-7-12-29(39)27(16-23)32(41)42)5-9-25(17)26-10-6-22(14-18(26)2)35-36-30-20(4)37-38(31(30)40)28-11-8-24(15-19(28)3)46(43,44)45;;/h5-16,39-40H,1-4H3,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b34-33+,36-35+;; |
| InChIKey | NWTOJIDMGWYCAE-VCLNPSOFSA-L |
| Mol Weight | 684.63453856 g/mol |
| Molecular Formula | C32H26N6Na2O7S |
| Exact Mass | 684.137907 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | EAJEfXyreTB |
|---|---|
| Name | Salicylic acid[m-tolidine-]1-(2-methyl-4-sulfophenyl)-3-methyl-5-pyrazolon |
| CAS Registry Number | 6598-55-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C32H26N6Na2O7S |
| InChI | InChI=1S/C32H28N6O7S.2Na/c1-17-13-21(33-34-23-7-12-29(39)27(16-23)32(41)42)5-9-25(17)26-10-6-22(14-18(26)2)35-36-30-20(4)37-38(31(30)40)28-11-8-24(15-19(28)3)46(43,44)45;;/h5-16,39-40H,1-4H3,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b34-33+,36-35+;; |
| InChIKey | NWTOJIDMGWYCAE-VCLNPSOFSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |