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JDWXHEZXDFKFMY-IWMDDRJTSA-N
SpectraBase Compound ID KtE7LRdSaS5
InChI InChI=1S/2C23H22F7NO4/c2*1-6-34-19(33)17-15(11(2)3)18(32)35-20(17,21(24,25)22(26,27)23(28,29)30)16-12(4)31(5)14-10-8-7-9-13(14)16/h2*7-10,17H,6H2,1-5H3/t17-,20+;17-,20-/m10/s1
InChIKey JDWXHEZXDFKFMY-IWMDDRJTSA-N
Mol Weight 1018.84 g/mol
Molecular Formula C46H44F14N2O8
Exact Mass 1018.287411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kpk9ZdMbJhp
Name JDWXHEZXDFKFMY-IWMDDRJTSA-N
Compound Number 3D+4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H44F14N2O8
InChI InChI=1S/2C23H22F7NO4/c2*1-6-34-19(33)17-15(11(2)3)18(32)35-20(17,21(24,25)22(26,27)23(28,29)30)16-12(4)31(5)14-10-8-7-9-13(14)16/h2*7-10,17H,6H2,1-5H3/t17-,20+;17-,20-/m10/s1
InChIKey JDWXHEZXDFKFMY-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
Molecular Weight 1018.842 g/mol
Solvent CDCl3
Source File Reference UWMS26251