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DI-[3-METHOXYCARBONYL-4-METHOXY-5-(TRIFLUOROMETHYL)-PHENYL]-KETONE
SpectraBase Compound ID 4lU0lWooZUK
InChI InChI=1S/C21H18F6O6/c1-30-16-12(18(28)32-3)6-10(8-14(16)20(22,23)24)5-11-7-13(19(29)33-4)17(31-2)15(9-11)21(25,26)27/h6-9H,5H2,1-4H3
InChIKey BZOUWJHYACTWDG-UHFFFAOYSA-N
Mol Weight 480.36 g/mol
Molecular Formula C21H18F6O6
Exact Mass 480.100757 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GDrTquN7Vk
Name DI-[3-METHOXYCARBONYL-4-METHOXY-5-(TRIFLUOROMETHYL)-PHENYL]-KETONE
Compound Number 62
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18F6O6
InChI InChI=1S/C21H18F6O6/c1-30-16-12(18(28)32-3)6-10(8-14(16)20(22,23)24)5-11-7-13(19(29)33-4)17(31-2)15(9-11)21(25,26)27/h6-9H,5H2,1-4H3
InChIKey BZOUWJHYACTWDG-UHFFFAOYSA-N
Literature Reference Author G.XU,M.MICKLATCHER,M.A.SILVESTRI,T.L.HARTMAN,J.BURRIER,M.C.O STERLING,H.WARGO,J.A
Literature Reference Citation J.MED.CHEM.,44,4092(2001)
Literature Reference DOI 10.1021/jm010212m
Solvent C6D6
Source File Reference UWSI45303