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OFQZDEQVDGAEMF-IWMDDRJTSA-N
SpectraBase Compound ID I3XU3fmLsMX
InChI InChI=1S/2C22H22F5NO4/c2*1-6-31-19(30)17-15(11(2)3)18(29)32-20(17,21(23,24)22(25,26)27)16-12(4)28(5)14-10-8-7-9-13(14)16/h2*7-10,17H,6H2,1-5H3/t17-,20+;17-,20-/m10/s1
InChIKey OFQZDEQVDGAEMF-IWMDDRJTSA-N
Mol Weight 918.83 g/mol
Molecular Formula C44H44F10N2O8
Exact Mass 918.293798 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HheNH9mvYpj
Name OFQZDEQVDGAEMF-IWMDDRJTSA-N
Compound Number 3C+4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44F10N2O8
InChI InChI=1S/2C22H22F5NO4/c2*1-6-31-19(30)17-15(11(2)3)18(29)32-20(17,21(23,24)22(25,26)27)16-12(4)28(5)14-10-8-7-9-13(14)16/h2*7-10,17H,6H2,1-5H3/t17-,20+;17-,20-/m10/s1
InChIKey OFQZDEQVDGAEMF-IWMDDRJTSA-N
Literature Reference Author C.J.THOMAS,M.A.WALAK,R.R.BIRGE,W.J.LEES
Literature Reference Citation J.ORG.CHEM.,66,1914(2001)
Literature Reference DOI 10.1021/jo005722n
Solvent CDCl3
Source File Reference UWMS26250