![5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid](/api/spectrum/Ha5QAODilfM/structure.png?h=300&w=458 "5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid")
| SpectraBase Compound ID | DZ1eGtAuL45 |
|---|---|
| InChI | InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41) |
| InChIKey | UYEZDWWGFYJUOF-UHFFFAOYSA-N |
| Mol Weight | 613.8 g/mol |
| Molecular Formula | C33H47N3O6S |
| Exact Mass | 613.318557 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Ha5QAODilfM |
|---|---|
| Name | 5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 394068 |
| CAS Registry Number | 25985-53-9 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H47N3O6S |
| InChI | InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41) |
| InChIKey | UYEZDWWGFYJUOF-UHFFFAOYSA-N |
| Observed nucleus | 1H |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 5-[3-(octadecanoylamino)-5-oxo(2-pyrazolinyl)]-2-phenoxybenzenesulfonic acid |
| Wiley ID | SIAL_1HNMR_008618 |