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QLCKXZHHOZYSHP-MQYKRMTFSA-N

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QLCKXZHHOZYSHP-MQYKRMTFSA-N
SpectraBase Compound ID 8YElMu71bXb
InChI InChI=1S/2C24H26F3NO3/c2*1-17-14-15-28(16-19-10-6-4-7-11-19)18(2)21(17)31-22(29)23(30-3,24(25,26)27)20-12-8-5-9-13-20/h2*4-13,18,21H,1,14-16H2,2-3H3/t18-,21+,23+;18-,21+,23-/m01/s1
InChIKey QLCKXZHHOZYSHP-MQYKRMTFSA-N
Mol Weight 866.94 g/mol
Molecular Formula C48H52F6N2O6
Exact Mass 866.372956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs6h9KFnqMR
Name QLCKXZHHOZYSHP-MQYKRMTFSA-N
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H52F6N2O6
InChI InChI=1S/2C24H26F3NO3/c2*1-17-14-15-28(16-19-10-6-4-7-11-19)18(2)21(17)31-22(29)23(30-3,24(25,26)27)20-12-8-5-9-13-20/h2*4-13,18,21H,1,14-16H2,2-3H3/t18-,21+,23+;18-,21+,23-/m01/s1
InChIKey QLCKXZHHOZYSHP-MQYKRMTFSA-N
Literature Reference Author X.D.WU,S.K.KHIM,X.ZHANG,E.M.CEDERSTROM,P.S.MARIANO
Literature Reference Citation J.ORG.CHEM.,63,841(1998)
Literature Reference DOI 10.1021/jo971706n
Molecular Weight 866.941 g/mol
Solvent CDCl3
Source File Reference UWSI27128