| SpectraBase Compound ID | AIJaAFDPM4I |
|---|---|
| InChI | InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ |
| InChIKey | NCEXYHBECQHGNR-QZQOTICOSA-N |
| Mol Weight | 398.39 g/mol |
| Molecular Formula | C18H14N4O5S |
| Exact Mass | 398.068491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 65bwZqhzg10 |
|---|---|
| Name | Sulfasalazine |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 460842 |
| CAS Registry Number | 599-79-1 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H14N4O5S |
| InChI | InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ |
| InChIKey | NCEXYHBECQHGNR-QZQOTICOSA-N |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 2-Hydroxy-5-{{4-[(2-pyridinylamino)sulfonyl]phenyl}azo}benzoic acid 5-[4-(2-Pyridylsulfamoyl)phenylazo]salicylic acid Salicylazosulfapyridine |
| Wiley ID | SIAL_13CNMR_010143 |