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DI-[4-METHOXY-3-METHOXYCARBONYL-5-(TRIFLUOROMETHYL)-PHENYL]-KETONE
SpectraBase Compound ID 8ko17GAYvCK
InChI InChI=1S/C21H16F6O7/c1-31-16-11(18(29)33-3)5-9(7-13(16)20(22,23)24)15(28)10-6-12(19(30)34-4)17(32-2)14(8-10)21(25,26)27/h5-8H,1-4H3
InChIKey ACLAZWPOGZGMQL-UHFFFAOYSA-N
Mol Weight 494.34 g/mol
Molecular Formula C21H16F6O7
Exact Mass 494.080022 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SCPu8xdRA4
Name DI-[4-METHOXY-3-METHOXYCARBONYL-5-(TRIFLUOROMETHYL)-PHENYL]-KETONE
Compound Number 57
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16F6O7
InChI InChI=1S/C21H16F6O7/c1-31-16-11(18(29)33-3)5-9(7-13(16)20(22,23)24)15(28)10-6-12(19(30)34-4)17(32-2)14(8-10)21(25,26)27/h5-8H,1-4H3
InChIKey ACLAZWPOGZGMQL-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 CDCl3
Source File Reference UWSI45301