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O-[4-BROMO-2-[(4-FLUOROPHENYL)-CARBAMOYL]-PHENYL]-O,O-DIETHYL-PHOSPHOROTHIOATE
SpectraBase Compound ID FVhyhrmgTLe
InChI InChI=1S/C17H18BrFNO4PS/c1-3-22-25(26,23-4-2)24-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey VMBKAEXOTHSOHR-UHFFFAOYSA-N
Mol Weight 462.27 g/mol
Molecular Formula C17H18BrFNO4PS
Exact Mass 460.986157 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dcg6Galklfg
Name O-[4-BROMO-2-[(4-FLUOROPHENYL)-CARBAMOYL]-PHENYL]-O,O-DIETHYL-PHOSPHOROTHIOATE
Compound Number 1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18BrFNO4PS
InChI InChI=1S/C17H18BrFNO4PS/c1-3-22-25(26,23-4-2)24-16-10-5-12(18)11-15(16)17(21)20-14-8-6-13(19)7-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey VMBKAEXOTHSOHR-UHFFFAOYSA-N
Literature Reference Author J.VINSOVA,M.KRATKY,M.KOMLOOVA,E.DADAPEER,S.STEPANKOVA,K.VORC AKOVA,J.STOLARIKOVA
Literature Reference Citation MOLECULES,19,7152(2014)
Literature Reference DOI 10.3390/molecules19067152
Solvent CDCl3
Source File Reference UWIR14719