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1-[3-(4-BROMOPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-OCTADECAN-1-ONE
SpectraBase Compound ID JgDWaNBofUA
InChI InChI=1S/C28H42BrCl3N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(35)34-27(36,28(30,31)32)22-25(33-34)23-18-20-24(29)21-19-23/h18-21,36H,2-17,22H2,1H3
InChIKey QMZLNTDKTXUAIF-UHFFFAOYSA-N
Mol Weight 624.9 g/mol
Molecular Formula C28H42BrCl3N2O2
Exact Mass 622.149525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uAZv5Mwkjm
Name 1-[3-(4-BROMOPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-OCTADECAN-1-ONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42BrCl3N2O2
InChI InChI=1S/C28H42BrCl3N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(35)34-27(36,28(30,31)32)22-25(33-34)23-18-20-24(29)21-19-23/h18-21,36H,2-17,22H2,1H3
InChIKey QMZLNTDKTXUAIF-UHFFFAOYSA-N
Literature Reference Author P.BECK,J.M.D.SANTOS,B.L.KUHN,D.N.MOREIRA,A.F.C.FLORES,M.A.P. MARTINS,M.G.M.D.OCA
Literature Reference Citation J.BRAZ.CHEM.SOC.,23,2122(2012)
Literature Reference DOI 10.1590/s0103-50532012005000071
Molecular Weight 624.917 g/mol
Source File Reference UWBT5512