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MGZBQRUAHIQEDA-LZUTUTKMSA-N
SpectraBase Compound ID CD8usHwPIUo
InChI InChI=1S/C42H38F2N2O6/c1-19(2)31-27-15-21(5)33(40(50)35(27)29(38(48)41(31)51)17-45-25-11-7-23(43)8-12-25)28-16-22(6)34-32(20(3)4)42(52)39(49)30(36(34)37(28)47)18-46-26-13-9-24(44)10-14-26/h7-20,45-47,50-52H,1-6H3/b29-17-,30-18-
InChIKey MGZBQRUAHIQEDA-LZUTUTKMSA-N
Mol Weight 704.8 g/mol
Molecular Formula C42H38F2N2O6
Exact Mass 704.269793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A12SpsqQKm
Name MGZBQRUAHIQEDA-LZUTUTKMSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H38F2N2O6
InChI InChI=1S/C42H38F2N2O6/c1-19(2)31-27-15-21(5)33(40(50)35(27)29(38(48)41(31)51)17-45-25-11-7-23(43)8-12-25)28-16-22(6)34-32(20(3)4)42(52)39(49)30(36(34)37(28)47)18-46-26-13-9-24(44)10-14-26/h7-20,45-47,50-52H,1-6H3/b29-17-,30-18-
InChIKey MGZBQRUAHIQEDA-LZUTUTKMSA-N
Literature Reference Author Q.T.THAT,K.P.P.NGUYEN,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,43,302(2005)
Literature Reference DOI 10.1002/mrc.1532
Molecular Weight 704.770 g/mol
Solvent CDCl3
Source File Reference UWSI26049