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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

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