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1-PHENYL-4-BENZYLOXYCARBONYL-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIM6X3-ONE
SpectraBase Compound ID 3wWsuUkkIRH
InChI InChI=1S/C25H17F3N2O3S/c26-25(27,28)24(17-11-5-2-6-12-17)29-21(31)20(23(32)33-15-16-9-3-1-4-10-16)22-30(24)18-13-7-8-14-19(18)34-22/h1-14H,15H2,(H,29,31)
InChIKey UXEOEJABFZBXPS-UHFFFAOYSA-N
Mol Weight 482.48 g/mol
Molecular Formula C25H17F3N2O3S
Exact Mass 482.091198 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfx19ynAtbq
Name 1-PHENYL-4-BENZYLOXYCARBONYL-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIM6X3-ONE
Compound Number IV-G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H17F3N2O3S
InChI InChI=1S/C25H17F3N2O3S/c26-25(27,28)24(17-11-5-2-6-12-17)29-21(31)20(23(32)33-15-16-9-3-1-4-10-16)22-30(24)18-13-7-8-14-19(18)34-22/h1-14H,15H2,(H,29,31)
InChIKey UXEOEJABFZBXPS-UHFFFAOYSA-N
Literature Reference Author M.V.VOVL,P.S.LEBED,V.A.SUKACH,M.Y.KORNILOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1781(2003)
Literature Reference DOI 10.1023/B:RUJO.0000019744.08100.85
Solvent CDCl3
Source File Reference UWMZ18717