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O-[4-BROMO-2-[4-(TRIFLUOROMETHYL)-PHENYL]-CARBAMOYL]-PHENYL]-O,O-DIETHYL-PHOSPHOROTHIOATE

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O-[4-BROMO-2-[4-(TRIFLUOROMETHYL)-PHENYL]-CARBAMOYL]-PHENYL]-O,O-DIETHYL-PHOSPHOROTHIOATE
SpectraBase Compound ID Epa3X7J9OPY
InChI InChI=1S/C18H18BrF3NO4PS/c1-3-25-28(29,26-4-2)27-16-10-7-13(19)11-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKey IJJMOTJMIKIYIS-UHFFFAOYSA-N
Mol Weight 512.28 g/mol
Molecular Formula C18H18BrF3NO4PS
Exact Mass 510.982964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hHvrMRmjnb
Name O-[4-BROMO-2-[4-(TRIFLUOROMETHYL)-PHENYL]-CARBAMOYL]-PHENYL]-O,O-DIETHYL-PHOSPHOROTHIOATE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18BrF3NO4PS
InChI InChI=1S/C18H18BrF3NO4PS/c1-3-25-28(29,26-4-2)27-16-10-7-13(19)11-15(16)17(24)23-14-8-5-12(6-9-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKey IJJMOTJMIKIYIS-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
Molecular Weight 512.278 g/mol
Solvent CDCl3
Source File Reference UWIR14721