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MTJFRCJHWIOCOK-NZARGNMBSA-N
SpectraBase Compound ID CCUPhI4P3Qr
InChI InChI=1S/2C28H30F3NO4/c2*1-4-35-26(34)24-22(21-17-10-15-9-16(12-17)13-18(21)11-15)25(33)36-27(24,28(29,30)31)23-14(2)32(3)20-8-6-5-7-19(20)23/h2*5-8,15-18,24H,4,9-13H2,1-3H3/b2*22-21-/t15-,16+,17-,18+,24-,27+;15-,16+,17-,18+,24-,27-/m10/s1
InChIKey MTJFRCJHWIOCOK-NZARGNMBSA-N
Mol Weight 1003.09 g/mol
Molecular Formula C56H60F6N2O8
Exact Mass 1002.425386 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOZjuMXXgMG
Name MTJFRCJHWIOCOK-NZARGNMBSA-N
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H60F6N2O8
InChI InChI=1S/2C28H30F3NO4/c2*1-4-35-26(34)24-22(21-17-10-15-9-16(12-17)13-18(21)11-15)25(33)36-27(24,28(29,30)31)23-14(2)32(3)20-8-6-5-7-19(20)23/h2*5-8,15-18,24H,4,9-13H2,1-3H3/b2*22-21-/t15-,16+,17-,18+,24-,27+;15-,16+,17-,18+,24-,27-/m10/s1
InChIKey MTJFRCJHWIOCOK-NZARGNMBSA-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 UWMS26252