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1-[5-HYDROXY-3-(4-METHOXYPHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-OCTADECAN-1-ONE
SpectraBase Compound ID 6YMHP0HeSGg
InChI InChI=1S/C29H45F3N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)34-28(36,29(30,31)32)23-26(33-34)24-19-21-25(37-2)22-20-24/h19-22,36H,3-18,23H2,1-2H3
InChIKey XPZBDDAWVWSFNC-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C29H45F3N2O3
Exact Mass 526.338228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NFzQvipoM7
Name 1-[5-HYDROXY-3-(4-METHOXYPHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-OCTADECAN-1-ONE
Compound Number 14 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H45F3N2O3
InChI InChI=1S/C29H45F3N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)34-28(36,29(30,31)32)23-26(33-34)24-19-21-25(37-2)22-20-24/h19-22,36H,3-18,23H2,1-2H3
InChIKey XPZBDDAWVWSFNC-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 526.683 g/mol
Source File Reference UWBT5521